| Research: 285 |
| 285. | Becker D, Bharatam PV, Gohlke H. Molecular Mechanisms Underlying Single Nucleotide Polymorphism-Induced Reactivity Decrease in CYP2D6. Journal of Chemical Information and Modeling 2024, . |
| 284. | Burman J, Manchanda K, Bhakhar KA, Boharupi AN, Gohlke H, Bharatam PV. A comparative electronic structure analysis of reactive metabolites of oxicams. Computational and Theoretical Chemistry 2024, 1237: 114648. |
| 283. | Jahan K, Battaje RR, Pratap V, Ahire G, Pushpakaran A, Ashtam A, Bharatam PV, Panda D. Identification of ethyl-6-bromo-2((phenylthio)methyl)imidazo[1,2-a]pyridine-3-carboxylate as a narrow spectrum inhibitor of Streptococcus pneumoniae and its FtsZ. European Journal of Medicinal Chemistry 2024, 267: . |
| 282. | Jahan K, Sood M, Jain O, Sahoo SC, Bharatam PV. Directed regioselective arylation of imidazo[1,2-a]pyridine-3-carboxamides using Rh(III) catalysis. Organic & Biomolecular Chemistry 2024, . |
| 281. | Kamera S, Sharma VK, Bharatam PV, Garlapati A. Identification of potential inhibitors of Mtb InhA: a pharmacoinformatics approach. Journal of Biomolecular Structure and Dynamics 2024, 42: 7957-7971. |
| 280. | Mukhopadhyay J, Bhagat S, Sahoo SC, Bharatam PV. L→S Coordination Complexes Containing Benzothiazol-2-ylidene Ligand: Quantum Chemical Analysis and Synthesis. ChemPlusChem 2024, e202400150. |
| 279. | Mukhopadhyay J, Sahoo SC, Bharatam PV. (Imidazol-2-ylidene) ? S coordination interactions and its modulation upon S-oxidation. Dalton Transactions 2024, . |
| 278. | Priyadarsinee L, Jamir E, Nagamani S, Mahanta HJ, Kumar N, John L, Sarma H, Kumar A, Gaur AS, Sahoo R, Vaikundamani S, Murugan NA, Priyakumar UD, Raghava GPS, Bharatam PV et al.. Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal. GigaByte 2024, . |
| 277. | Shah SM, Chakraborty S, Dubey G, Yewale S, Sathe RY, Ramaswamy L, Haddouchi S, Thiruvenkatam V, Bharatam PV, Bansal AK. Effect of Differential Surface Anisotropy on Dissolution Behavior of Fenofibrate Crystal Habits: Comparative Study using USP Type 2 and Type 4 Dissolution Apparatuses. Journal of Pharmaceutical Sciences 2024, 113: 1844-1853. |
| 276. | Subramanian G, Manchanda K, Mo Y, Sathe RY, Bharatam PV. Monovalent cation binding to model systems and the macrocyclic depsipeptide, emodepside. Journal of Computational Chemistry 2024, 45: 2409-2423. |
| 275. | Bag D, Kour H, Saha N, Kamal, Holla H, Bharatam PV, Sawant SD. Iodocycloisomerization/Nucleophile Addition Cascade Transformations of 1,2-Alkynediones. Journal of Organic Chemistry 2023, 88: 2377-2384. |
| 274. | Bharatam PV, Valanju OR, Wani AA, Dhaked DK. Importance of tautomerism in drugs. Drug Discovery Today 2023, 28: 103494. |
| 273. | Bhattu M, Verma M, Wani AA, Bharatam PV, Sareen S, Kathuria D. Tuning of (E)-(4-fluorophenyl)-1,1-diamino-2,3-diazabuta-1,3-diene nanostructures for the selective detection of imidacloprid. Environmental Research 2023, 216: 114494. |
| 272. | Bhattu M, Wani AA, Verma M, Bharatam PV, Kathuria D, Simal-Gandara J. A selective turn-on fluorescent chemosensor 1,1-diaminoazine for azinphos-methyl. Journal of Photochemistry and Photobiology A: Chemistry 2023, 437: 114476. |
| 271. | Chakraborty S, Sathe RY, Chormale JH, Dangi A, Bharatam PV, Bansal AK. Effect of Deep Eutectic System (DES) on Oral Bioavailability of Celecoxib: In Silico, In Vitro, and In Vivo Study. Pharmaceutics 2023, 15: 2351. |
| 270. | Chaudhari TY, Bisht S, Chorol S, Bhujbal SM, Bharatam PV, Tandon V. Bronsted Acid-Catalyzed Regioselective Carboxamidation of 2-Indolylmethanols with Isonitriles. Journal of Organic Chemistry 2023, 88: 10412-10425. |
| 269. | Hirlekar BU, Wani AA, Dixit VA, Bharatam PV. Quantum chemical exploration of the mechanism of Robinson–Gabriel reaction. Computational and Theoretical Chemistry 2023, 1228: 114296. |
| 268. | Sharma V, Jahan K, Kumar P, Puri A, Sharma VK, Mishra A, Bharatam PV, Sharma D, Rishi V, Roy J. Mechanistic insights into granule-bound starch synthase I (GBSSI.L539P) allele in high amylose starch biosynthesis in wheat (Triticum aestivum L.). Functional & Integrative Genomics 2023, 23: 20. |
| 267. | Sheetal A, Reddy AS, Arora P, Puri V, Bharatam PV. Predictive Modeling of Metabolomics data for the Identification of Biomarkers in Chronic Kidney Disease. Medical Research Archives 2023, 11: . |
| 266. | Wani AA, Mehta K, Reddy R, Bharatam PV. Michael addition reaction of malonates with nitro-olefins catalyzed by 1,1-diaminoazine, a bifunctional hydrogen bonding organocatalyst. New Journal of Chemistry 2023, 47: 19983-19986. |
| 265. | Wanjari P, Rath A, Sathe R, Bharatam PV. Identification of CYP3A4 inhibitors as potential anti-cancer agents using pharmacoinformatics approach . Journal of Molecular Modeling 2023, 29: 156. |
| 264. | Wanjari PJ, Saha N, Dubey G, Bharatam PV. Metal-free methods for the generation of benzimidazoles and 2-aminobenzimidazoles. Tetrahedron 2023, 130: 133143. |
| 263. | Xalxo A, Jyoti Goswami U, Sarkar S, Kandasamy T, Mehta K, Ghosh SS, Bharatam PV, Khan AT. Synthesis of 3-sulfenylindole derivatives from 4-hydroxy-2H-chromene-2-thione and indole using oxidative cross-dehydrogenative coupling reaction and anti-proliferative activity study of some of their sulfone derivatives. Bioorganic Chemistry 2023, 141: 106900. |
| 262. | Dar MO, Dubey G, Singh T, Bharatam PV. N-heterocyclic carbene ligated oximes: Exploring the electronic structure and properties. International Journal of Quantum Chemistry 2022, 122: e26907. |
| 261. | Dar MO, Kapse RY, Dubey G, Singh T, Thiruvenkatam V, Bharatam PV. Electronic Structure Analysis and Synthesis of Nitroso N-Heterocyclic Imines. ChemistrySelect 2022, 7: e202203613. |
| 260. | Dubey G, Mahawar N, Singh T, Saha N, Sahoo SC, Bharatam PV. Thiazetidin-2-ylidenes as four membered N-heterocyclic carbenes: theoretical studies and the generation of complexes with N+ cente. Physical Chemistry Chemical Physics 2022, 24: 629-633. |
| 259. | Dubey G, Singh T, Bharatam PV. The importance of four-membered NHCs in stabilizing Breslow intermediates on benzoin condensation pathway. Journal of Computational Chemistry 2022, 44: 346-354. |
| 258. | Jahan K, Sofi FA, Salim SA, Bharatam PV. NIS mediated dehydrogenative-cyclocondensation in aqueous medium towards the synthesis of 2-arylimidazo[1,2-a]pyridines and their 3-formylated derivatives. Tetrahedron 2022, 112: 132715. |
| 257. | Joseph A, Kumar GJ, Pawar SD, Hirlekar BU, Bharatam PV and Konda S. Analytical developments of p-hydroxy prenylamine reference material for dope control research: Characterization and purity assessment. Drug Testing and Analysis 2022, 14: 224-232. |
| 256. | Kapoor S, Dubey G, Khatun S, Bharatam PV. Remdesivir: Mechanism of Metabolic Conversion from Prodrug to Drug. Current Drug Metabolism 2022, 23: 73-81. |
| 255. | Kaur A, Dubey G, Sharma N, Pant R, Bharatam PV, Tikoo K, Bansal AK. High dose nanocrystalline solid dispersion powder of voriconazole for inhalation. International Journal of Pharmaceutics 2022, 622: 121827. |
| 254. | Kaur A, Yadav JP, Sathe RY, Puri V, Bharatam PV, Bansal AK. Understanding Poor Milling Behavior of Voriconazole from Crystal Structure and Intermolecular Interactions. Molecular Pharmaceutics 2022, 19: 985-997. |
| 253. | Sathe RY, Bharatam PV. Drug-dendrimer complexes and conjugates: Detailed furtherance through theory and experiments. Advances in Colloid and Interface Science 2022, 303: 102639. |
| 252. | Ayushee, Patel M, Meena P, Jahan K, Bharatam PV, Verma AK. Base-Mediated Anti-Markovnikov Hydroamidation of Vinyl Arenes with Arylamides. Organic Letters 2021, 23: 565-570. |
| 251. | Bagwan NUS, Sheokand S, Kaur A, Dubey G, Puri V, Bharatam PV, Bansal AK. Role of surface molecular environment and amorphous content in moisture sorption behavior of milled Terbutaline Sulphate. European Journal of Pharmaceutical Sciences 2021, 161: 105782. |
| 250. | Bahuguna A, Bharatam PV, Rawat DS. 3D QSAR studies on amphiphilic indoles for antimycobacterial activity. Journal of Biochemical and Molecular Toxicology 2021, 35: e22675. |
| 249. | Becker D, Bharatam PV, Gohlke H. F/G Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in Metabolism. Journal of Chemical Information and Modeling 2021, 61: 4023-4030. |
| 248. | Bharatam PV, Dubey G, Awari S, Singh T, Sahoo SC . Mesoionic and N-heterocyclic Carbenes-Coordinated N+ Center: Experimental and Computational Analysis. ChemPlusChem 2021, 86: 1416-1420. |
| 247. | Jaladanki CK, Khatun S, Gohlke H, Bharatam PV. Reactive Metabolites from Thiazole-Containing Drugs: Quantum Chemical Insights into Biotransformation and Toxicity. Chemical Research in Toxicology 2021, 34: 1503-1517. |
| 246. | Kaur M, Mehta V, Wani AA, Arora S, Bharatam PV, Sharon A, Singh S, Kumar R. Synthesis of 1,4-dihydropyrazolo[4,3-b]indoles via intramolecular C(sp 2)-N bond formation involving nitrene insertion, DFT study and their anticancer assessment. Bioorganic Chemistry 2021, 114: 105114. |
| 245. | Rekowski SP, Kroener BK, Khaturia D, Wani AA, Chourasiya SS, Conrad J, Bharatam P V, Frey W, Beifuss U. A novel copper-catalyzed, hydrazine-free synthesis of N-1 unsubstituted 1H-indazoles using stable guanylhydrazone salts as substrates. Tetrahedron 2021, 91: 132192. |
| 244. | Sharma N, Singh A, Abbat S, Bharatam PV, Malik A, Singh A, Dhau JS. Selective lithiation of 2,4-lutidine: Role of transition states of lithium dialkylamides. Journal of Organometallic Chemistry 2021, 936: 121691. |
| 243. | Sharma VK, Bharatam PV. Identification of Selective Inhibitors of Ld DHFR Enzyme Using Pharmacoinformatic Methods. Journal of Computational Biology 2021, 36: 43-59. |
| 242. | Sharma VK, Kathuria D, Bharatam PV. Identification of selective Ld DHFR inhibitors using quantum chemical and molecular modeling approach. Journal of Biomolecular Structure and Dynamics 2021, 1-9. |
| 241. | Singh T, Bharatam PV. Compound with possible N ? N coordination bond: Synthesis, crystal structure and electronic structure analysis. Tetrahedron Letters 2021, 77: 153246. |
| 240. | Sofi FA, Sharma R, Rawat R, Chakraborti AK, Bharatam PV. Visible light promoted tandem dehydrogenation-deaminative cyclocondensation under aerobic conditions for the synthesis of 2-aryl benzimidazoles/quinoxalines from ortho-phenylenediamines and arylmethyl/ethyl amines. New Journal of Chemistry 2021, 45: 4569-4573. |
| 239. | Wani AA, Chourasiya SS, Kathuria D and Bharatam PV. 1, 1-Diaminoazines as organocatalysts in phospha-Michael addition reactions. Chemical Communications 2021, 57: 11717-11720. |
| 238. | Wani AA, Chourasiya SS, Kathuria D, Sahoo SC, Beifuss U, Bharatam PV. Iodine Catalyzed Oxidative Coupling of Diaminoazines and Amines for the Synthesis of 3,5-Disubstituted-1,2,4-Triazoles. The Journal of Organic Chemistry 2021, 86: 7659-7671. |
| 237. | Wanjari P, Singh T, Sofi FA, Bharatam PV. Quantum chemical study in exploring the role of donor?acceptor interactions in 1,3-bis carbene-stabilized guanidinium cations. Journal of Molecular Modeling 2021, 27: 87. |
| 236. | Johnsirani P, Wani AA, Bharatam PV, Nanjappan S. LC-ESI-QTOF-MS analysis utilizing gas-phase fragmentation reactions subjected to ESI-IS-CID and ESI-CID-MS/MS conditions to study the degradation behaviour of sorafenib tosylate: NMR and in vitro cytotoxicity and apoptosis detection studies of hydrolytic . Journal of Pharmaceutical and Biomedical Analysis 2020, 177: 112881. |
| 235. | Khanna S, Sundriyal S, Bharatam PV. Pharmacophore mapping and virtual screening for the identification of new PPARy agonists. Journal of the Indian Chemical Society 2020, 97: 1191-1197. |
| 234. | Kour J, Venkateswarlu V, Verma PK, Hussain Y, Dubey G, Bharatam PV, Sahoo SC, Sawant SD. Oxone-DMSO Triggered Methylene Insertion and C(sp 2)-C(sp 3)-H-C(sp 2) Bond Formation to Access Functional Bis-Heterocycles. Journal of Organic Chemistry 2020, 85: 4951-4962. |
| 233. | Kumar V, Sushma Sri N, Tripathi N, Sharma VK, Bharatam PV, Garg P, Singh S. Structural exploration of glutamine synthetase from Leishmania donovani: Insights from in silico and in vitro analysis. International Journal of Biological Macromolecules 2020, 146: 860-874. |
| 232. | Nayak D, Tripathi N, Kathuria D, Siddharth S, Nayak A, Bharatam PV, Kundu C. Quinacrine and Curcumin Synergistically Increased the Breast Cancer Stem Cells Death by Inhibiting ABCG2 and Modulating DNA Damage Repair Pathway. The International Journal of Biochemistry & Cell Biology 2020, 119: 105682. |
| 231. | Patel N, Arfeen M, Singh T, Bhagat S, Sakhare A, Bharatam PV . Divalent N I Compounds: Identifying new Carbocyclic Carbenes to Design Nitreones using Quantum Chemical Methods. Journal of Computational Chemistry 2020, 41: 2624-2633. |
| 230. | Rekowski SP, Wani AA, Conrad J, Bharatam PV, Frey W, Beifuss U. Transition metal-free diastereospecific synthesis of (Z)-2-arylidene-2,3-dihydrobenzo[b][1,4]dioxines by reaction of (Z)-1,2-dibromo-3-aryl-2-propenes with catechols. Tetrahedron 2020, 76: 131482. |
| 229. | Roy HS, Dubey G, Sharma VK, Bharatam PV, Ghosh D. Molecular docking and molecular dynamics to identify collagenase inhibitors as lead compounds to address osteoarthritis. Journal of Biomolecular Structure and Dynamics 2020, 2339-2351. |
| 228. | Ryan P, Xu M, Jahan K, Davey AK, Bharatam PV, Dukie SA, Kassiou M, Mellick GD, Rudrawar S. Novel Furan-2-yl-1 H-pyrazoles Possess Inhibitory Activity against a-Synuclein Aggregation. ACS Chemical Neuroscience 2020, 11: 2303-2315. |
| 227. | Singh DK, Sahu A, Wani AA, Bharatam PV, Chakraborti AK, Giri S, Singh S. Characterization of Photodegradation Products of Bepotastine Besilate and In Silico Evaluation of Their Physicochemical, Absorption, Distribution, Metabolism, Excretion and Toxicity Properties. Journal of Pharmaceutical Sciences 2020, 109: 1883-1895. |
| 226. | Sofi FA, Bharatam PV. Synthesis of Drugs and Biorelevant N-heterocycles Employing Recent Advances in C-N Bond Formation. Current Organic Chemistry 2020, 24: 2293-2340. |
| 225. | Sofi FA, Dubey G, Sharma R, Das P, Bharatam PV. Palladium-catalyzed aminocarbonylation of 2-phenyimidazo[1,2-a] pyridines using chloroform as carbon monoxide source and their mechanistic studies. Tetrahedron 2020, 76: 131060. |
| 224. | Urvashi, Dar MO, Bharatam PV, Das P, Kukreti S, Tandon V. Cu(II)-catalyzed sulfonylation of 7-azaindoles using DABSO as SO2-Source and its mechanistic study. Tetrahedron 2020, 76: 131337. |
| 223. | Vinay C, Arora P, Bharatam PV. A Bayesian Meta-Analysis on Accuracy Estimation of Fourth Generation HIV Rapid Tests in Acute HIV Diagnosis. Journal of Critical Reviews 2020, 7: 2559-2567. |
| 222. | Abbat S, Jaladanki CK, Bharatam PV. Exploring PfDHFR reaction surface: A combined molecular dynamics and QM/MM analysis. Journal of Molecular Graphics and Modelling 2019, 87: 76-88. |
| 221. | Ansari AJ, Wani AA, Maurya AK, Verma S, Agnihotri VK, Sharon A, Bharatam PV, Sawant DM. An unprecedented N- to C-sulfonyl migration in the reaction of azomethine amine and allenoates: access to arylsulfonylmethyl substituted pyrazolo[1,5-c]quinazoline and mechanistic studies. Chemical Communications 2019, 55: 14825-14828. |
| 220. | Arora S, Joshi G, Kalra S, Wani AA, Bharatam PV, Kumar P, Kumar R. Knoevenagel/Tandem Knoevenagel and Michael Adducts of Cyclohexane-1,3-dione and Aryl Aldehydes: Synthesis, DFT Studies, Xanthine Oxidase Inhibitory Potential, and Molecular Modeling. ACS Omega 2019, 4: 4604-4614. |
| 219. | Bhagat S, Arfeen M, Das G, Patel N, Bharatam PV. Electronic and ligating properties of carbocyclic carbenes: A theoretical investigation. Journal of Computational Chemistry 2019, 40: 726-733. |
| 218. | Bhagat S, Arfeen M, Das G, Ramkumar M, Khan SI, Tekwani BL, Bharatam PV. Design, synthesis and biological evaluation of 4-aminoquinoline-guanylthiourea derivatives as antimalarial agents. Bioorganic Chemistry 2019, 91: 103094. |
| 217. | Kale DP, Ugale B, Nagaraja CM, Dubey G, Bharatam PV, Bansal AK. Molecular Basis of Water Sorption Behavior of Rivaroxaban-Malonic Acid Cocrystal. Molecular Pharmaceutics 2019, 16: 2980-2991. |
| 216. | Kathuria D, Chourasiya SS, Wani AA, Singh M, Sahoo SC and Bharatam PV. Geometrical Isomerism in Guanabenz Free Base: Synthesis, Characterization, Crystal Structure, and Theoretical Studies. Crystal Growth & Design 2019, 19: 3183-3191. |
| 215. | Kathuria D, Gupta P, Chourasiya SS, Sahoo SC, Beifuss U, Chakraborti AK, Bharatam PV. An unprecedented intramolecular to intermolecular mechanistic switch in 1,1-diaminoazines leading to differential product formation during the I2-induced tandem oxidative transformation. Organic & Biomolecular Chemistry 2019, 17: 4129-4138. |
| 214. | Kumar Singh D, Sahu A, Abdullah Wani A, Bharatam PV, Narayana Kotimoole C, Balaji Batkulwar K, Yashwantrao Deshpande A, Giri S, Singh S. Stability behaviour of antiretroviral drugs and their combinations. 10: LC-HRMS, LC-MSn, LC-NMR and NMR characterization of fosamprenavir degradation products and in silico determination of their ADMET properties. European Journal of Pharmaceutics and Biopharmaceutics 2019, 142: 165-178. |
| 213. | Ramesh M, Bharatam PV. Formation of a toxic quinoneimine metabolite from diclofenac: a quantum chemical study. Drug Metabolism Letters 2019, 13: 64-76. |
| 212. | Sharma R, Sofi FA, Rana P, Bharatam PV. Bimetallic Cu–Mn B spinel oxide catalyzed oxidative synthesis of 1,2-disubstituted benzimidazoles from benzyl bromides. New Journal of Chemistry 2019, 43: 4013-4016. |
| 211. | Sharma S, Dubey G, Sran BS, Bharatam PV, Hundal G. Fabrication of a Hydrazone-Based Al(III)-Selective "Turn-On" Fluorescent Chemosensor and Ensuing Potential Recognition of Picric Acid. ACS Omega 2019, 4: 18520-18529. |
| 210. | Singh T, Bharatam PV. Donor→acceptor coordination interactions in 1,3-bis(NHC)triazenyl Cations: An electronic structure analysis. Journal of Computational Chemistry 2019, 40: 2207-2215. |
| 209. | Singh T, George A,Parameswaran P and Bharatam PV. Enols, Diamino Enols, and Breslow Intermediates: A Comparative Quantum Chemical Analysis. European Journal of Organic Chemistry 2019, 2019: 2481-2489. |
| 208. | Sofi FA, Sharma R, Chakraborti AK, Bharatam PV. Tandem Oxidative Cyclocondensation towards 2,3-Disubstituted Quinazolinones in the Presence of [Bmim][BF4] and Iodine. European Journal of Organic Chemistry 2019, 34: 5887-5893. |
| 207. | Sofi FA, Sharma R, Kavyasree SN, Salim SA, Wanjari PJ, Bharatam PV. Singlet oxygen mediated one pot synthesis of N-pyridinylamides via oxidative amidation of aryl alkyl ketones. Tetrahedron 2019, 75: 130536. |
| 206. | Tripathi N, Guchhait SK, Bharatam PV. Pharmacoinformatics analysis of merbarone binding site in human topoisomerase IIα. Journal of Molecular Graphics and Modelling 2019, 86: 1-18. |
| 205. | Tripathi N, Shaikh N, Bharatam PV, Garg P. HToPred: A Tool for Human Topoisomerase II Inhibitor Prediction. Molecular Informatics 2019, 38: Article ID 1800046. |
| 204. | Bhatt D, Patel N, Chowdhury H, Bharatam PV, Goswami A. Additive-Controlled Switchable Selectivity from Cyanobenzenes to 2-Alkynylpyridines: Ruthenium(II)-Catalyzed [2+2+2] Cycloadditions of Diynes and Alkynylnitriles. Advanced Synthesis & Catalysis 2018, 360: 1876-1882. |
| 203. | Chourasiya SS, Wani AA, Nagaraja CM, Chakraborti AK, Bharatam PV. N-(acridin-9-yl)arenesulfonamides: Synthesis, quantum chemical studies and crystal structure analysis to establish the tautomeric preferences. Tetrahedron 2018, 74: 3634-3641. |
| 202. | Ghosh K, Shankar M, Rit RK, Dubey G, Bharatam PV, Sahoo AK. Sulfoximine-Assisted One-Pot Unsymmetrical Multiple Annulation of Arenes: A Combined Experimental and Computational Study. Journal of Organic Chemistry 2018, 83: 9667-9681. |
| 201. | Joshi G, Chauhan M, Kumar R, Thakur A, Sharma S, Singh R, Wani AA, Sharon A, Bharatam PV and Kumar R. Cyclocondensation reactions of an electron deactivated 2-aminophenyl tethered imidazole with mono/1,2-biselectrophiles: synthesis and DFT studies on the rationalisation of imidazo[1,2-a]quinoxaline versus benzo[f]imidazo[1,5-a][1,3,5]triazepine selectivit. Organic Chemistry Frontiers 2018, 5: 3526-3533. |
| 200. | Joshi G, Wani AA, Sharma S, Bhutani P, Bharatam PV, Paul AT, Kumar R. Unanticipated Cleavage of 2-Nitrophenyl-Substituted N-Formyl Pyrazolines under Bechamp Conditions: Unveiling the Synthesis of 2-Aryl Quinolines and Their Mechanistic Exploration via DFT Studies. ACS Omega 2018, 3: 18783-18790. |
| 199. | Kathuria D, Bankar AA, Bharatam PV. "What's in a structure?" The story of biguanides. Journal of Molecular Structure 2018, 1152: 61-78. |
| 198. | Kathuria D, Chourasiya SS, Mandal SK, Chakraborti AK, Beifuss U, Bharatam PV. Ring-chain isomerism in conjugated guanylhydrazones: Experimental and theoretical study. Tetrahedron 2018, 74: 2857-2864. |
| 197. | Kumar S, Pagar AD, Ahmad F, Dwibedi V, Wani A, Bharatam PV, Chhibber M, Saxena S, Pal Singh IP. Xanthine oxidase inhibitors from an endophytic fungus Lasiodiplodia pseudotheobromae. Bioorganic Chemistry 2018, 18: 31156-31158. |
| 196. | Patel N, Arfeen M, Sood R, Khullar S, Chakraborti AK, Mandal SK, Bharatam PV. Can Remote N-Heterocyclic Carbenes Coordinate with Main Group Elements? Synthesis, Structure, and Quantum Chemical Analysis of N(+) -Centered Complexes. Chemistry: A European Journal 2018, 24: 6418-6425. |
| 195. | Patel N, Falke B, Bharatam PV. C → N coordination bonds in (CCC) → N+ ← (L) complexes. Theoretical Chemistry Accounts 2018, 137: 34. |
| 194. | Patel N, Sood R, Bharatam PV. NL2+ Systems as New-Generation Phase-Transfer Catalysts. Chemical Reviews 2018, 118: 8770-8785. |
| 193. | Samanthula G, Swain D, Sahu G, Bhagat S, Bharatam PV. Ultra HPLC Method for Fixed Dose Combination of Azilsartan Medoxomil and Chlorthalidone: Identification and in silico Toxicity Prediction of Degradation Products. Journal of Analytical Chemistry 2018, 73: 560-569. |
| 192. | Sethi R, Tripathi N, Pallapati AR, Gaikar A, Bharatam PV, Roy I. Does N-terminal huntingtin function as a 'holdase' for inhibiting cellular protein aggregation?. FEBS Journal 2018, 285: 1791-1811. |
| 191. | Angmo S, Tripathi N, Abbat S, Sharma S, Singh SS, Halder A, Yadav K, Shukla G, Sandhir R, Rishi V, Bharatam PV, Yadav H, Singhal NK. Identification of Guanosine 5'-diphosphate as Potential Iron Mobilizer: Preventing the Hepcidin-Ferroportin Interaction and Modulating the Interleukin-6/Stat-3 Pathway. Scientific Reports 2017, 7: 40097. |
| 190. | Bhagat S, Arfeen M, Adane L, Singh S, Singh PP, Chakraborti AK, Bharatam PV. Guanylthiourea derivatives as potential antimalarial agents: Synthesis, in vivo and molecular modelling studies. European Journal of Medicinal Chemistry 2017, 135: 339-348. |
| 189. | Chourasiya SS, Patel DR, Nagaraja CM, Chakraborti AK and Bharatam PV. Sulfonamide vs. sulfonimide: tautomerism and electronic structure analysis of N-heterocyclic arenesulfonamides. New Journal of Chemistry 2017, 41: 8118-8129. |
| 188. | Das S, Tripathi N, Preet R, Siddharth S, Nayak A, Bharatam PV, Kundu CN. Quinacrine induces apoptosis in cancer cells by forming a functional bridge between TRAIL-DR5 complex and modulating the mitochondrial intrinsic cascade. Oncotarget 2017, 8: 248-267. |
| 187. | Das S, Tripathi N, Siddharth S, Nayak A, Nayak D, Sethy C, Bharatam PV, Kundu CN. Etoposide and doxorubicin enhance the sensitivity of triple negative breast cancers through modulation of TRAIL-DR5 axis. Apoptosis 2017, 22: 1205-1224. |
| 186. | Dhameliya TM, Chourasiya SS, Mishra E, Jadhavar PS, Bharatam PV, Chakraborti AK. Rationalization of Benzazole-2-carboxylate versus Benzazine-3-one/Benzazine-2,3-dione Selectivity Switch during Cyclocondensation of 2-Aminothiophenols/Phenols/Anilines with 1,2-Biselectrophiles in Aqueous Medium. Journal of Organic Chemistry 2017, 82: 10077-10091. |
| 185. | Handa T, Jhajra S, Bhagat S, Bharatam PV, Chakraborti AK, Singh S. Molecular insight into atypical instability behavior of fixed-dose combination containing amlodipine besylate and losartan potassium. Journal of Pharmaceutical and Biomedical Analysis 2017, 136: 66-80. |
| 184. | Jaladanki CK, Shaikh A, Bharatam PV. Biotransformation of Isoniazid by Cytochromes P450: Analyzing the Molecular Mechanism using Density Functional Theory. Chemical Research in Toxicology 2017, 30: 2060-2073. |
| 183. | Kurmi M, Patel N, Jhajra S, Bharatam PV, Singh S. Characterization of forced degradation products of torasemide through MS tools and explanation of unusual losses observed during mass fragmentation of drug and degradation products through density functional theory. Journal of Pharmaceutical and Biomedical Analysis 2017, 145: 209-218. |
| 182. | Laha JK, Kaur Hunjan M, Bhimpuria RA, Kathuria D, Bharatam PV. Geometry Driven Intramolecular Oxidative Cyclization of Enamides: An Umpolung Annulation of Primary Benzamides with Acrylates for the Synthesis of 3-Methyleneisoindolin-1-ones. Journal of Organic Chemistry 2017, 82: 7346-7352. |
| 181. | Laha JK, Sharma S, Bhimpuria RA, Dayal N, Dubey G and Bharatam PV. Integration of oxidative arylation with sulfonyl migration: one-pot tandem synthesis of densely functionalized (NH)-pyrroles. New Journal of Chemistry 2017, 41: 8791-8803. |
| 180. | Nageswar Rao D, Rasheed S, Raina G, Ahmed QN, Jaladanki CK, Bharatam PV, Das P. Cobalt-Catalyzed Regioselective Ortho C(sp(2))-H Bond Nitration of Aromatics through Proton-Coupled Electron Transfer Assistance. Journal of Organic Chemistry 2017, 82: 7234-7244. |
| 179. | Reddy AS, Reddy KR, Rao DN, Jaladanki CK, Bharatam PV, Lam PYS, Das P. Copper(ii)-catalyzed Chan-Lam cross-coupling: chemoselective N-arylation of aminophenols. Organic & Biomolecular Chemistry 2017, 15: 801-806. |
| 178. | Sharma VK, Abbat S, Bharatam PV. Pharmacoinformatic Study on the Selective Inhibition of the Protozoan Dihydrofolate Reductase Enzymes. Molecular Informatics 2017, 36: Article ID 1600156. |
| 177. | Tripathi N, Bharatam PV, Mori A, Jangra H. Assessing Therapeutic Potential of Molecules: Molecular Property Diagnostic Suite for Tuberculosis (MPDSTB). Journal of Chemical Sciences 2017, 129: 515-531. |
| 176. | Tripathy RK, Aggarwal G, Bajaj P, Kathuria D, Bharatam PV, Pande AH. Towards Understanding the Catalytic Mechanism of Human Paraoxonase 1: Experimental and In Silico Mutagenesis Studies. Applied Biochemistry and Biotechnology 2017, 182: 1642-1662. |
| 175. | Abbat S and Bharatam PV. Electronic structure and conformational analysis of P218: An antimalarial drug candidate. International Journal of Quantum Chemistry 2016, 116: 1362-1369. |
| 174. | Arfeen M, Bhagat S, Patel R, Prasad S, Roy I, Chakraborti AK, Bharatam PV. Design, synthesis and biological evaluation of 5-benzylidene-2-iminothiazolidin-4-ones as selective GSK-3β inhibitors. European Journal of Medicinal Chemistry 2016, 121: 727-736. |
| 173. | Bharatam PV, Arfeen M, Patel N, Jain P, Bhatia S, Chakraborti AK, Khullar S, Gupta V, Mandal SK. Design, Synthesis, and Structural Analysis of Divalent N(I) Compounds and Identification of a New Electron-Donating Ligand. Chemistry: A European Journal 2016, 22: 1088-1096. |
| 172. | Chatterjee N, Arfeen M, Bharatam PV, Goswami A. A Metal and Base-Free Chemoselective Primary Amination of Boronic Acids Using Cyanamidyl/Arylcyanamidyl Radical as Aminating Species: Synthesis and Mechanistic Studies by Density Functional Theory. Journal of Organic Chemistry 2016, 81: 5120-5127. |
| 171. | Chourasiya SS, Kathuria D, Nikam SS, Ramakrishnan A, Khullar S, Mandal SK, Chakraborti AK, Bharatam PV. Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer. Journal of Organic Chemistry 2016, 81: 7574-7583. |
| 170. | Dash AK, Jaladanki CK, Maiti DK, Singh D, Tripathi AK, Gupta VK, Bharatam PV, Mukherjee D. Tandem gem-dichlorination and nitrile oxide generation from chlorochromene aldoximes: synthesis of a new class of room temperature fluxional 4-chromanone derivatives. ChemistrySelect 2016, 1: 567-571. |
| 169. | Dixit VA, Rathi PC, Bhagat S, Gohlke H, Petersen RK, Kristiansen K, Chakraborti AK, Bharatam PV. Design and synthesis of novel Y-shaped barbituric acid derivatives as PPARγ activators. European Journal of Medicinal Chemistry 2016, 108: 423-435. |
| 168. | Jain V, Maiti PK, Bharatam PV. Atomic level insights into realistic molecular models of dendrimer-drug complexes through MD simulations. Journal of Chemical Physics 2016, 145: 124902. |
| 167. | Kathuria D, Arfeen M, Bankar AA, Bharatam PV. Carbene→ N+ Coordination Bonds in Drugs: A Quantum Chemical Study. Journal of Chemical Sciences 2016, 128: 1607-1614. |
| 166. | Kaur PK, Tripathi N, Desale J, Neelagiri S, Yadav S, Bharatam PV and Singh S. Mutational and Structural Analysis of Conserved Residues in Ribose-5-Phosphate Isomerase B from Leishmania donovani: Role in Substrate Recognition and Conformational Stability. PLOS One 2016, 11: e0150764. |
| 165. | Kumar KA, Kannaboina P, Jaladanki CK, Bharatam PV, Das P. Copper-Catalyzed N-Arylation of Tautomerizable Heterocycles with Boronic Acids and Its Application to Synthesis of Oxygenated Carbazoles. ChemistrySelect 2016, 1: 601-607. |
| 164. | Kumar N, Kumar S, Abbat S, Kumar N, Sondhi SM, Bharatam PV, Roy P, Pruthi V. Ferulic acid amide derivatives as anticancer and antioxidant agents: synthesis, thermal, biological and computational studies. Medicinal Chemistry Research 2016, 25: 1175-1192. |
| 163. | Kumar R, Garg P and Bharatam PV. Pharmacoinformatics Analysis to Identify Inhibitors of Mtb-ASADH. Journal of Biomolecular Structure and Dynamics 2016, 34: 1-14. |
| 162. | Kumar R, Sethi R, Shah P, Roy I, Singh IP, Bharatam PV, Tewari R and Garg P. Biological Evaluation of Small Molecule Inhibitors of Mtb-ASADH Enzyme. Letters in Drug Design & Discovery 2016, 13: 587-590. |
| 161. | Nayak A, Satapathy SR, Das D, Siddharth S, Tripathi N, Bharatam PV, Kundu C. Nanoquinacrine induced apoptosis in cervical cancer stem cells through the inhibition of hedgehog-GLI1 cascade: Role of GLI-1. Scientific Reports 2016, 6: 20600. |
| 160. | Patel M, Saunthwal RK, Dhaked DK, Bharatam PV, Verma AK. Metal-free Intermolecular Hydrophenoxylation of Aryl Alkynes. Asian Journal of Organic Chemistry 2016, 5: 213-221. |
| 159. | Sethi R, Tripathi N, Bharatam PV, Roy I. Amino-terminal wild type huntingtin as a protein folding aid-A function unexplored. FEBS Journal 2016, 283: 105. |
| 158. | Sharma R, Patel N, Vishwakarma RA, Bharatam PV, Bharate SB. Metal-free oxidative cyclization of acetophenones with diamines: a facile access to phenylpyridines. Chemical Communications 2016, 52: 1009-1012. |
| 157. | Swain D, Samanthula G, Bhagat S, Bharatam PV, Akula V, Sinha BN. Characterization of forced degradation products and in silico toxicity prediction of Sofosbuvir: A novel HCV NS5B polymerase inhibitor. Journal of Pharmaceutical and Biomedical Analysis 2016, 352-363. |
| 156. | Turakhiya A, Tangadpalliwar S, Sivakumar G, Amara VR, Tikoo K, Garg P and Bharatam PV. BiAnaCA: A Freely Accessible Tool for Data Analysis of End-Point Biochemical Assay. Journal of Bioinformatics, Computational and Systems Biology 2016, 1: 104. |
| 155. | Abbat S, Dhaked DK, Arfeen M, Bharatam PV. Mechanism of the Paal-Knorr reaction: the importance of water mediated hemialcohol pathway. RSC Advances 2015, 5: 88353-88366. |
| 154. | Abbat S, Jain V, Bharatam PV. Origins of the specificity of inhibitor P218 toward wild-type and mutant PfDHFR: a molecular dynamics analysis. Journal of Biomolecular Structure and Dynamics 2015, 33: 1913-1928. |
| 153. | Arfeen M, Patel R, Khan T, Bharatam PV. Molecular dynamics simulation studies of GSK-3β ATP competitive inhibitors: Understanding the factors contributing to selectivity. Journal of Biomolecular Structure and Dynamics 2015, 33: 2578-2593. |
| 152. | Baviskar AT, Amrutkar SM, Trivedi N, Chaudhary V, Nayak A, Guchhait SK, Banerjee UC, Bharatam PV, Kundu CN. Switch in Site of Inhibition: A Strategy for Structure-Based Discovery of Human Topoisomerase IIa Catalytic Inhibitors. ACS Medicinal Chemistry Letters 2015, 6: 481-485. |
| 151. | Bharate JB, Abbat S, Bharatam PV, Vishwakarma RA, Bharate SB. CuBr catalyzed aerobic oxidative coupling of 2-aminopyridines with cinnamaldehydes: Direct access to 3-formyl-2-phenyl-imidazo[1,2-a]pyridines. Organic & Biomolecular Chemistry 2015, 13: 7790-7794. |
| 150. | Bharate JB, Abbat S, Sharma R, Bharatam PV, Vishwakarma R, Bharate SB. Cobalt (II) catalyzed C(sp)-H bond functionalization of alkynes with phenyl hydrazines: A facile access to diaryl 1,2-diketones. Organic & Biomolecular Chemistry 2015, 13: 5235-5242. |
| 149. | Chourasiya S, Kathuria D, Singh S, Bharatam PV, Sonavane V. Design, synthesis and biological evaluation of novel unsymmetrical azines as quorum sensing inhibitors. RSC Advances 2015, 5: 80027-80038. |
| 148. | Dhaked DK, Bharatam PV. DFT study on the oxygen transfer mechanism in nitroethenediamine based H2-receptor antagonists using the bis-dithiolene complex as the model catalyst for N-oxide reductase enzyme. Journal of Inorganic Biochemistry 2015, 142: 84-91. |
| 147. | Jaladanki CK, Taxak N, Varikoti RA, Bharatam PV. Toxicity Originating from Thiophene Containing Drugs: Exploring the Mechanism using Quantum Chemical Methods. Chemical Research in Toxicology 2015, 28: 2364-2376. |
| 146. | Kumar CD, Sirisha K, Dhaked DK, Lokesh P, Sarma AV, Bharatam PV, Kantevari S, Sripadi P. Investigation of anion-p interactions involving thiophene walls incorporated calix[4]pyrroles. Journal of Organic Chemistry 2015, 80: 1746-1753. |
| 145. | Kumar KA, Kannaboina P, Dhaked DK, Vishwakarma RA, Bharatam PV, Das P. Cu-catalyzed arylation of the amino group in the indazole ring: regioselective synthesis of pyrazolo-carbazoles. Organic & Biomolecular Chemistry 2015, 13: 1481-1491. |
| 144. | Kumar R, Garg P and Bharatam PV. Shape-based virtual screening, docking and molecular dynamics simulations to identify Mtb-ASADH inhibitors. Journal of Biomolecular Structure and Dynamics 2015, 33: 1082-1093. |
| 143. | Kusunuru AK, Jaladanki CK, Tatina MB, Bharatam PV, Mukherjee D. TEMPO-Promoted Domino Heck-Suzuki Arylation: Diastereoselective Cis-Diarylation of Glycals and Pseudoglycals. Organic Letters 2015, 17: 3742-3745. |
| 142. | Patel M, Saunthwal RK, Dhaked DK, Bharatam PV, Verma AK. Nucleophilic Addition versus SNAr Study: Chemo-, Regio- and Stereoselective Hydrothiolation of Haloaryl Alkynes over S-Arylation of Aryl Halides. Asian Journal of Organic Chemistry 2015, 4: 894-898. |
| 141. | Ramakrishnan A, Chourasiya S, Bharatam PV. Azine or hydrazine? The dilemma in amidinohydrazones. RSC Advances 2015, 5: 55938-55947. |
| 140. | Sharma R, Abbat S, Bharate JB, Bharate SB, Bharatam PV, Vishwakarma R. Ortho-quinone methides: TFA-mediated generation in water and trapping with lactams and styrenes. Tetrahedron Letters 2015, 56: 4057-4059. |
| 139. | Singh S, Wanjari PJ, Bhatia S, Sonwane VC, Chakraborti AK and Bharatam PV. Design, synthesis, biological evaluation and toxicity studies of N,N-disubstituted biguanides as quorum sensing inhibitors. Medicinal Chemistry Research 2015, 24: 1974-1987. |
| 138. | Tandon V, Urvashi, Yadav P, Sur S, Abbat S, Tiwari V, Hewer R, Papathanasopoulos MA, Raja R, Banerjea AC, Verma AK, Kukreti S, Bharatam PV. Design, Synthesis, and Biological Evaluation of 1,2-Dihydroisoquinolines as HIV-1 Integrase Inhibitors. ACS Medicinal Chemistry Letters 2015, 6: 1065-1070. |
| 137. | Tyagi M, Taxak N, Bharatam PV, Nandanwar H, Kartha KR. Mechanochemical click reaction as a tool for making carbohydrate-based triazole-linked self-assembling materials (CTSAMs). Carbohydrate research 2015, 407: 137-147. |
| 136. | Adane L, Bhagat S, Arfeen M, Bhatia S, Sirawaraporn R, Sirawaraporn W, Chakraborti AK and Bharatam PV. Design and synthesis of guanylthiourea derivatives as potential inhibitors of Plasmodium falciparum dihydrofolate reductase enzyme. Bioorganic & Medicinal Chemistry Letters 2014, 24: 613-617. |
| 135. | Arfeen M, Patel DS, Abbat S, Taxak N, Bharatam PV. Importance of cytochromes in cyclization reactions: quantum chemical study on a model reaction of proguanil to cycloguanil. Journal of Computational Chemistry 2014, 35: 2047-2055. |
| 134. | Bhatia S, Bharatam PV. Possibility of the existence of donor-acceptor interactions in bis(azole)amines: an electronic structure analysis. Journal of Organic Chemistry 2014, 79: 4852-4862. |
| 133. | Das D, Preet R, Mohapatra P, Satapathy SR, Siddharth S, Tamir T, Jain V, Bharatam PV, Wyatt MD, Kundu CN. 5-Fluorouracil mediated anti-cancer activity in colon cancer cells is through the induction of Adenomatous Polyposis Coli: Implication of the long-patch base excision repair pathway. DNA Repair 2014, 24: 15-25. |
| 132. | Dhaked DK and Bharatam PV. Conformational and zwitterionic preferences of N-amidinoglycine: the effect of microsolvation and metal ion addition. RSC Advances 2014, 4: 45332-45344. |
| 131. | Dhaked DK and Bharatam PV. On the Stability of Zwitterions of Pyridine Sulfonylureas: The Effect of Isosterism, Acidity, and Microsolvation. Journal of Physical Chemistry. A 2014, 118: 187-196. |
| 130. | Gupta M, Jangra H, Bharatam PV and Madan AK. Relative eccentric distance sum/product indices for QSAR/QSPR: Development, evaluation and application. ACS Combinatorial Science 2014, 16: 101-112. |
| 129. | Gupta M, Jangra H, Bharatam PV, Madan AK. Detour Cum Distance Matrix Based Topological Descriptors for QSAR/QSPR Part-I: Development and Evaluation. Letters in Drug Design & Discovery 2014, 11: 844-863. |
| 128. | Jhajra S, Handa T, Bhatia S, Bharatam PV, Singh S. Explanation through density functional theory of the unanticipated loss of CO2 and differences in mass fragmentation profiles of ritonavir and its rCYP3A4-mediated metabolites. Journal of Mass Spectrometry 2014, 49: 452-467. |
| 127. | Kaur R, Ramesh M, Bharatam PV, Kishore R. Self-association behavior of a novel nonproteinogenic β-strand- mimic in an organic solvent. Journal of Physical Chemistry. B 2014, 118: 9199-9208. |
| 126. | Kumar V, Taxak N, Jangir R, Bharatam PV, Kartha KP. In(III) triflate-mediated solvent-free synthesis and activation of thioglycosides by ball milling and structural analysis of long chain alkyl thioglycosides by TEM and quantum chemical methods. Journal of Organic Chemistry 2014, 79: 3427-3439. |
| 125. | Madan J, Gundala SR, Kasetti Y, Bharatam PV, Aneja R, Katyal A, Jain UK. Enhanced noscapine delivery using estrogen-receptor-targeted nanoparticles for breast cancer therapy. Anti-Cancer Drugs 2014, 25: 704-716. |
| 124. | Marwaha RK, Jangra H, Das KC, Bharatam PV, Madan AK. Path eccentricity based highly discriminating topological descriptors for QSAR/QSPR Part-1: development and evaluation. International Journal of Chemical Modeling 2014, 6: 531-556. |
| 123. | Mudududdla R, Sharma R, Abbat S, Bharatam PV, Vishwakarma RA and Bharate SB. Synthesis of 2-phenylnaphthalenes from styryl-2-methoxybenzenes. Chemical Communications 2014, 50: 12076-12079. |
| 122. | Ramesh M and Bharatam PV. Importance of hydrophobic parameters in identifying appropriate pose of CYP substrates in cytochromes. European Journal of Medicinal Chemistry 2014, 71: 15-23. |
| 121. | Sanghai N, Jain V, Preet R, Kandekar S, Das S, Trivedi N, Mohaputra P, Priyadarshani G, Kashyap M, Das D, Sathapathy S, Sidharth S, Guchhait SK, Kundu C and Bharatam PV. Combretastatin A-4 Inspired Novel 2-Aryl-3-arylamino-imidazopyridines/pyrazines as Tubulin Polymerization Inhibitors, Antimitotic and Anticancer Agents. MedChemComm 2014, 5: 766-782. |
| 120. | Singh M, Bharatam PV, Madan AK. Detour matrix-based adjacent path eccentric distance sum indices for QSAR/QSPR Part I: development and evaluation. International Journal of Computational Biology and Drug Design 2014, 7: 295-318. |
| 119. | Taxak N, Bharatam PV. Drug metabolism: A fascinating link between chemistry and biology. Resonance 2014, 19: 259-282. |
| 118. | Bhatia S, Dixit VA, Jangra H and Bharatam PV. Formation/Fate of Reactive Metabolites from General Anesthetics and A Comparison of Toxic and Non-Toxic Analogues: A DFT Study. Drug Metabolism Letters 2013, 6: 221-234. |
| 117. | Bhatia S, Malkhede YJ and Bharatam PV. Existence of dynamic tautomerism and divalent N(I) character in N-(pyridin-2-yl)thiazol-2-amine. Journal of Computational Chemistry 2013, 34: 1577-1588. |
| 116. | Chaudhary A, Sharma PP, Bhardwaj G, Jain V, Bharatam PV, Shrivastav B, Roy RK. Synthesis, biological evaluation and molecular modeling studies of novel heterocyclic compounds as anti-proliferative agents. Medicinal Chemistry Research 2013, 22: 5654-5669. |
| 115. | Dhaked DK and Bharatam PV. Nitro ⇌ aci-nitro tautomerism and E/Z isomeric preferences of nitroethenediamine derivatives: a quantum chemical study. RSC Advances 2013, 3: 25268-25277. |
| 114. | Dhau JS, Singh A, Kasetti Y, Bhatia S, Bharatam PV, Brandão P, Félix V and Singh KN. A Study on the BF3 Directed Lithiation of 3-Chloro- and 3-Bromopyridine. Tetrahedron 2013, 69: 10284-10291. |
| 113. | Jain V, Maingi V, Maiti PK and Bharatam PV. Molecular dynamics simulations of PPI dendrimer-drug complexes. Soft Matter 2013, 9: 6482-6496. |
| 112. | Kandekar S, Preet R, Kashyap M M U RP, Mohapatra P, Das D, Satapathy SR, Siddharth S, Jain V, Choudhuri M, Kundu CN, Guchhait SK and Bharatam PV. Structural Elaboration of a Natural Product: Identification of 3,3'-Diindolylmethane Aminophosphonate and Urea Derivatives as Potent Anticancer Agents. ChemMedChem 2013, 8: 1873-1884. |
| 111. | Kasetti Y and Bharatam PV. Pharmacophoric features of drugs with guanylurea moiety: an electronic structure analysis. Journal of Molecular Modeling 2013, 19: 1865-1874. |
| 110. | Kaur N, Khokhar M, Jain V, Bharatam PV, Sandhir R, Tewari R. Identification of druggable targets for Acinetobacter baumannii via subtractive genomics and plausible inhibitors for MurA and MurB. Applied biochemistry and biotechnology 2013, 171: 417-436. |
| 109. | Khokhar M, Kaur N, Jain V, Sandhir R, Gautam A, Bharatam PV, Tewari R. Comparative modeling of pivotal enzymes, MurA and MurZ, of Enterococcus faecalis and identification of potential inhibitors by computational methods. Medicinal Chemistry Research 2013, 23: 1819-1828. |
| 108. | Nathavad ZP, Bhatia S, Dhaked DK and Bharatam PV. Electronic Structure Analysis of Isomeric Preferences of Canonical and Zwitterionic forms of Lornoxicam. Computational and Theoretical Chemistry 2013, 1023: 51-58. |
| 107. | Ramesh M, Bharatam PV, Venugopalan P, Kishore R. Importance of C-H···O Intramolecular Hydrogen Bonding Across a Nonproteinogenic γ-Aminobenzoic Acid Residue: Stabilization of a Flat β-Strand-like Template. Crystal Growth & Design 2013, 13: 2004-2012. |
| 106. | Singh S, Baviskar AT, Jain V, Mishra N, Banerjee UC, Bharatam PV, Tikoo KB and Ishar MPS. 3-Formylchromone based topoisomerase IIa inhibitors: discovery of potent leads. MedChemComm 2013, 4: 1257-1266. |
| 105. | Taxak N, Bharatam PV. 2D QSAR Study for Gemfibrozil Glucuronide as the Mechanism-based Inhibitor of CYP2C8. Indian journal of pharmaceutical sciences 2013, 75: 680-687. |
| 104. | Taxak N, Kalra S and Bharatam PV. Mechanism-based inactivation of cytochromes by furan epoxide: unraveling the molecular mechanism. Inorganic Chemistry 2013, 52: 13496-13508. |
| 103. | Taxak N, Patel B and Bharatam PV. Carbene Generation by Cytochromes and Electronic Structure of Heme-Iron-Porphyrin-Carbene Complex: A Quantum Chemical Study. Inorganic Chemistry 2013, 52: 5097-5109. |
| 102. | Taxak N, Prasad KC and Bharatam PV. Mechanistic Insights into the Bioactivation of Phenacetin to Reactive Metabolites: A DFT Study. Computational and Theoretical Chemistry 2013, 1007: 48-56. |
| 101. | Aggarwal T, Kumar S, Dhaked DK, Tiwari RK, Bharatam PV and Verma AK. Site-selective electrophilic cyclization and subsequent ring-opening: a synthetic route to pyrrolo[1,2-a]quinolines and indolizines. Journal of Organic Chemistry 2012, 77: 8562-8573. |
| 100. | Akhtar M and Bharatam PV. 3D-QSAR and molecular docking studies on 3-Anilino-4-Arylmaleimide derivatives as glycogen synthase kinase-3β inhibitors. Chemical Biology & Drug Design 2012, 79: 560-571. |
| 99. | Bharatam PV, Frenking G and Sastry GN. Research expedition of Prof. Eluvathingal D. Jemmis. Theoretical Chemistry Accounts 2012, 131: 1164-1165. |
| 98. | Bhatia S, Bagul C, Kasetti Y, Patel DS and Bharatam PV. Divalent N(I) Character in 2-(Thiazol-2-yl)guanidine: An Electronic Structure Analysis. Journal of Physical Chemistry. A 2012, 116: 9071-9079. |
| 97. | Dhaked DK, Jain V, Kasetti Y and Bharatam PV. Conformational polymorphism in bicalutamide: a quantum chemical study. Structural Chemistry 2012, 23: 1857-1866. |
| 96. | Dhau JS, Singh A, Kasetti Y and Bharatam PV. Complex-Induced Proximity Effect in the Regioselective Lithiation of Pyridine Derivatives. European Journal of Organic Chemistry 2012, 2012: 1746-1752. |
| 95. | Guchhait SK, Kandekar S, Kashyap M, Taxak N and Bharatam PV. C-H bond functionalization under metalation-deprotonation process: regioselective direct arylation of 3-aminoimidazo[1,2-a]pyrazine. Journal of Organic Chemistry 2012, 77: 8321-8328. |
| 94. | Jain V, Dhaked DK, Kasetti Y and Bharatam PV. Computational study on the conformational preferences in Nateglinide. Journal of Physical Organic Chemistry 2012, 25: 649-657. |
| 93. | Kasetti Y and Bharatam PV. Tautomerism in drugs with Benzimidazole Carbamate Moiety: An Electronic Structure Analysis. Theoretical Chemistry Accounts 2012, 131: 1160-1168. |
| 92. | Maingi V, Jain V, Bharatam PV and Maiti PK. Dendrimer building toolkit: Model building and characterization of various dendrimer architectures. Journal of Computational Chemistry 2012, 33: 1997-2011. |
| 91. | Marwaha RK, Jangra H, Bharatam PV, Das KC and Madan AK. Fourth generation detour matrix based topological indices for QSAR/QSPR part-1: development and evaluation. International Journal of Computational Biology and Drug Design 2012, 5: 335-360. |
| 90. | Patel DS, Ramesh M and Bharatam PV. Cytochrome P450 Isoenzyme Specificity in the Metabolism of Anti-malarial Biguanides: Molecular Docking and Molecular Dynamics Analyses. Medicinal Chemistry Research 2012, 21: 4274-4289. |
| 89. | Ramesh M and Bharatam PV. CYP isoform specificity toward drug metabolism: analysis using common feature hypothesis. Journal of Molecular Modeling 2012, 18: 709-720. |
| 88. | Singh K, Kaur H, Chibale K, Balzarini J, Little S and Bharatam PV. 2-Aminopyrimidine based 4-aminoquinoline anti-plasmodial agents. Synthesis, biological activity, structure-activity relationship and mode of action studies. European Journal of Medicinal Chemistry 2012, 52: 82-97. |
| 87. | Taxak N, Desai PV, Patel B, Mohutsky M, Klimkowski VJ, Gombar V and Bharatam PV. Metabolic-intermediate complex formation with cytochrome P450: Theoretical studies in elucidating the reaction pathway for the generation of reactive nitroso intermediate. Journal of Computational Chemistry 2012, 33: 1740-1747. |
| 86. | Taxak N, Dixit VA and Bharatam PV. Density functional study on the cytochrome-mediated s-oxidation: identification of crucial reactive intermediate on the metabolic path of thiazolidinediones. Journal of Physical Chemistry. A 2012, 116: 10441-10450. |
| 85. | Tyagi M, Taxak N, Bharatam PV and Kartha KPR. Synthesis of self-assembling glycerotriazolophanes. RSC Advances 2012, 2: 11366-11371. |
| 84. | Adane L and Bharatam PV. Computer-aided molecular design of 1H-imidazole-2,4-diamine derivatives as potential inhibitors of Plasmodium falciparum DHFR enzyme. Journal of Molecular Modeling 2011, 17: 657-667. |
| 83. | Anand N, Shah BA, Kapoor M, Parshad R, Sharma RL, Hundal MS, Pannu APS, Bharatam PV and Taneja SC. Entrapment and kinetic resolution of stabilized axial and equatorial conformers of spiro-β-lactams. Journal of Organic Chemistry 2011, 76: 5999-6006. |
| 82. | Baviskar AT, Madaan C, Preet R, Mohapatra P, Jain V, Agarwal A, Guchhait SK, Kundu CN, Banerjee UC and Bharatam PV. N-Fused Imidazoles As Novel Anticancer Agents That Inhibit Catalytic Activity of Topoisomerase IIα and Induce Apoptosis in G1/S Phase. Journal of Medicinal Chemistry 2011, 54: 5013-5030. |
| 81. | Dixit VA and Bharatam PV. Toxic Metabolite Formation from Troglitazone (TGZ): New Insights from a DFT Study. Chemical Research in Toxicology 2011, 24: 1113-1122. |
| 80. | Patel DS and Bharatam PV. Divalent N(I) Compounds with Two Lone Pairs on Nitrogen. Journal of Physical Chemistry. A 2011, 115: 7645-7655. |
| 79. | Patel DS and Bharatam PV. To bend or not to bend! The dilemma of allenes. Journal of Organic Chemistry 2011, 76: 2558-2567. |
| 78. | Ramesh M and Bharatam PV. Quantitative Structure Metabolism Relationship (QSMR): Comparative molecular field analysis of CYP2D6 substrates. International Journal of Drug Design and Discovery 2011, 2: 520-526. |
| 77. | Taxak N, Parmar V, Patel DS, Kotasthane A and Bharatam PV. S-Oxidation of Thiazolidinedione with Hydrogen Peroxide, Peroxynitrous Acid, and C4a-Hydroperoxyflavin: A Theoretical Study. Journal of Physical Chemistry. A 2011, 115: 891-898. |
| 76. | Adane L and Bharatam PV. Binding modes of 2,4-diaminoquinazoline and 2,4-diaminopteridine analogs to P. falciparum dihydrofolate reductase enzyme: Molecular docking studies. Indian Journal of Pharmaceutical Sciences 2010, 72: 324-333. |
| 75. | Adane L, Bharatam PV and Sharma V. A common feature-based 3D-pharmacophore model generation and virtual screening: identification of potential PfDHFR inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 2010, 25: 635-645. |
| 74. | Adane L, Patel DS and Bharatam PV. Shape- and chemical feature-based 3D-pharmacophore model generation and virtual screening: identification of potential leads for P. falciparum DHFR enzyme inhibition. Chemical Biology & Drug Design 2010, 75: 115-126. |
| 73. | Chimni SS, Bala N, Dixit VA and Bharatam PV. Thiourea catalyzed aminolysis of epoxides under solvent free conditions. Electronic control of regioselective ring opening. Tetrahedron 2010, 66: 3042-3049. |
| 72. | Dixit VA, Rathi PC and Bharatam PV. Intramolecular dihydrogen bond: A new perspective in Lewis acid catalyzed nucleophilic epoxide ring opening reaction. Journal of Molecular Structure: THEOCHEM 2010, 962: 97-100. |
| 71. | Kasetti Y, Patel NK, Sundriyal S and Bharatam PV. Conformational polymorphism in sulfonylurea drugs: electronic structure analysis. Journal of Physical Chemistry. B 2010, 114: 11603-11611. |
| 70. | Kaur D, Sharma P and Bharatam PV. Importance of selenium in antioxidant behavior of ebselen: A theoretical study. Journal of Molecular Structure: THEOCHEM 2010, 939: 118-123. |
| 69. | Kaur P, Kaur S, Kasetti Y, Bharatam PV and Singh K. A new colorimetric chemodosimeter for Hg2+ based on charge-transfer compound of N-methylpyrrole with TCNQ. Talanta 2010, 83: 644-650. |
| 68. | Kumar PS and Bharatam PV. Comparative 3D QSAR study on β1-, β2-, and β3-adrenoceptor agonists. Medicinal Chemistry Research 2010, 19: 1121-1140. |
| 67. | Madan J, Dhiman N, Parmar VK, Sardana S, Bharatam PV, Aneja R, Chandra R and Katyal A. Inclusion complexes of noscapine in β-cyclodextrin offer better solubility and improved pharmacokinetics. Cancer Chemotherapy and Pharmacology 2010, 65: 537-548. |
| 66. | Malik S, Dixit VA, Bharatam PV and Kartha KPR. A simple, mild, and regioselective method for the benzylation of carbohydrate derivatives promoted by silver carbonate. Carbohydrate Research 2010, 345: 559-564. |
| 65. | Mehdi A, Adane L, Patel DS and Bharatam PV. Electronic structure and reactivity of guanylthiourea: A quantum chemical study. Journal of Computational Chemistry 2010, 31: 1259-1267. |
| 64. | Moon LS, Pal M, Kasetti Y, Bharatam PV and Jolly RS. Chiral Solvating Agents for Cyanohydrins and Carboxylic acids. Journal of Organic Chemistry 2010, 75: 5487-5498. |
| 63. | Patel DS and Bharatam PV. Carbones: divalent C(0) compounds. Current Science 2010, 99: 425-426. |
| 62. | Adane L and Bharatam PV. 3D-QSAR analysis of cycloguanil derivatives as inhibitors of A16V + S108T mutant Plasmodium falciparum dihydrofolate reductase enzyme. Journal of Molecular Graphics and Modelling 2009, 28: 357-367. |
| 61. | Moon LS, Jolly RS, Kasetti Y and Bharatam PV. A New Chiral Shift Reagent for Determination of Enantiomeric Excess and Absolute Configuration of Cyanohydrins. Chemical Communications 2009, 1067-1069. |
| 60. | Patel DS and Bharatam PV. Novel (+)N(←L)2 species with two lone pairs on nitrogen: systems isoelectronic to carbodicarbenes. Chemical Communications 2009, 1064-1066. |
| 59. | Sharma G, Abraham I, Pardasani R, Bharatam PV and Mukherjee T. A DFT and CASSCF Study of Photocycloaddition Reactions of Biradicals from 6-Amino-2-(3-Thienoyl)-1,4-Benzoquinone. Bulletin of the Chemical Society of Japan 2009, 82: 1477-1488. |
| 58. | Sundriyal S and Bharatam PV. Important pharmacophoric features of pan PPAR agonists: Common chemical feature analysis and virtual screening. European Journal of Medicinal Chemistry 2009, 44: 3488-3495. |
| 57. | Sundriyal S and Bharatam PV. Sum of activities' as dependent parameter: A new CoMFA-based approach for the design of pan PPAR agonists. European Journal of Medicinal Chemistry 2009, 44: 42-53. |
| 56. | Bahiru LA and Bharatam PV. Tautomeric preferences and electron delocalisation in biurets, thiobiuret and dithiobiuret: an ab initio quantum chemical study. International Journal of Quantum Chemistry 2008, 108: 1277-1286. |
| 55. | Francis SM, Sharma M, Mittal A and Bharatam PV. Design of benzene-1,2-diamines as selective inducible nitric oxide synthase inhibitors: A combined de novo design and docking analysis. Journal of Molecular Modeling 2008, 14: 215-224. |
| 54. | Kaur D, Punita, Bharatam PV and Kaur M. Understanding Selenocysteine through conformational analysis, proton affinities, acidities and bond dissociation energies. International Journal of Quantum Chemistry 2008, 108: 983-991. |
| 53. | Kessar SV, Singh P, Singh KN, Bharatam PV, Sharma AK, Lata S, Kaur A. A study of BF3-promoted ortho lithiation of anilines and DFT calculations on the role of fluorine-lithium interactions. Angewandte Chemie 2008, 47: 4703-4706. |
| 52. | Patel DS and Bharatam PV. Selectivity criterion for pyrazolo[3,4-b]pyrid[az]ine derivatives as GSK-3 inhibitors: CoMFA and molecular docking studies. European Journal of Medicinal Chemistry 2008, 43: 949-957. |
| 51. | Shah P, Mittal A and Bharatam PV. CoMFA analysis of dual/multiple PPAR activators. European Journal of Medicinal Chemistry 2008, 43: 2784-2791. |
| 50. | Shaikh MS, Mittal A and Bharatam PV. Design of Fructose-2,6-Bisphosphatase Inhibitors: A novel Virtual Screening Approach. Journal of Molecular Graphics and Modelling 2008, 26: 900-906. |
| 49. | Sundriyal S, Bharathy E, Viswanand B, Ramarao P, Chakraborti AK and Bharatam PV. New PPARg ligands based on 2-hydroxy-1,4-naphthoquinone: Computer aided design, synthesis and receptor binding studies. Bioorganic & Medicinal Chemistry Letters 2008, 18: 3192-3195. |
| 48. | Sundriyal S, Khanna S, Saha R and Bharatam PV. Metformin and glitazones: does similarity in biomolecular mechanism originate from tautomerism in these drugs?. Journal of Physical Organic Chemistry 2008, 21: 30-33. |
| 47. | Sundriyal S, Viswanad B, Ramarao P, Chakraborti AK and Bharatam PV. New PPARg ligands based on barbituric acid: Virtual Screening, synthesis and receptor binding studies. Bioorganic & Medicinal Chemistry Letters 2008, 18: 4959-4962. |
| 46. | Aher YD, Agarwal A, Bharatam PV and Garg P. 3D-QSAR studies of substituted 1-(3, 3-diphenylpropyl)-piperidinyl amides and ureas as CCR5 receptor antagonists. Journal of Molecular Modeling 2007, 13: 519-529. |
| 45. | Dessalew N and Bharatam PV. 3D-QSAR and molecular docking study on bisarylmaleimide series as glycogen synthase kinase 3, cyclin dependent kinase 2 and cyclin dependent kinase 4 inhibitors: An insight to the criteria for selectivity. European Journal of Medicinal Chemistry 2007, 42: 1014-1027. |
| 44. | Dessalew N and Bharatam PV. 3D-QSAR CoMFA Study on Aminothiazole Derivatives as Cyclin-Dependent Kinase 2 Inhibitors. Molecular Informatics 2007, 26: 85-91. |
| 43. | Dessalew N and Bharatam PV. Identification of potential glycogen kinase-3 inhibitors by structure based virtual screening. Biophysical Chemistry 2007, 128: 165-175. |
| 42. | Dessalew N and Bharatam PV. Structure based de novo design of novel glycogen synthase kinase 3 inhibitors. Bioorganic & Medicinal Chemistry 2007, 15: 3728-3736. |
| 41. | Dessalew N, Patel DS and Bharatam PV. 3D-QSAR and molecular docking studies on pyrazolopyrimidine derivatives as GSK3 inhibitors. Journal of Molecular Graphics and Modelling 2007, 25: 885-895. |
| 40. | Iqbal P, Patel D and Bharatam PV. Ab initio study on N N',N''-triaminoguanidine. Journal of Physical Organic Chemistry 2007, 20: 1072-1080. |
| 39. | Kaur D, Sharma P and Bharatam PV. A comparative study on the nature and strength of O-O, S-S and Se-Se bond. Journal of Molecular Structure: THEOCHEM 2007, 810: 31-37. |
| 38. | Kaur D, Sharma P, Kaur RP, Kaur M and Bharatam PV. Substituent effects on the proton affinities of selenoamides: A theoretical study. Journal of Molecular Structure: THEOCHEM 2007, 805: 119-125. |
| 37. | Kessar SV, Singh P, Singh KN, Venugopalan P, Kaur A, Bharatam PV and Sharma AK. An Experimental and computational study of stereoselectivity and reactivity in Lewis acid promoted lithiation of tertiary amine. Journal of American Chemical Society 2007, 129: 4506-4507. |
| 36. | Kumar R, Ramachandran U, Khanna S, Bharatam PV, Raichur S and Chakrabarti R. Synthesis, in vitro and in silico evaluation of L-tyrosine containing PPARα/γ dual agonists. Bioorganic & Medicinal Chemistry 2007, 15: 1547-1555. |
| 35. | Singh SK, Dessalew N and Bharatam PV. 3D-QSAR CoMFA study on oxindole derivatives as cyclin dependent kinase 1 (CDK1) and cyclin dependent kinase 2 (CDK2) inhibitors. Medicinal Chemistry 2007, 3: 75-84. |
| 34. | Vidyasagar M and Bharatam PV. BIOSUITE: A Comprehensive bioinformatics software suite. Current Science 2007, 92: 29-38. |
| 33. | Bharatam PV and Iqbal P. Theoretical studies on electron delocalization in diaminoguanidine. Journal of Computational Chemistry 2006, 27: 334-343. |
| 32. | Bharatam PV and Khanna S. Molecular docking studies on pyridine derivatives of glitazones as PPAR gamma Agonists. Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry 2006, 45A: 188-193. |
| 31. | Bharatam PV and Sundriyal S. Molecular electrostatic potentials in the design of dendrimers for the delivery of glitazones. Journal of Nanoscience and Nanotechnology 2006, 6: 3277-3282. |
| 30. | Bharatam PV, Amita, Kaur D and Senthil Kumar P. Potential energy surface of thionylimide. International Journal of Quantum Chemistry 2006, 106: 1237-1249. |
| 29. | Dessalew N and Bharatam PV. Investigation of potential glycogen synthase kinase 3 inhibitors using pharmacophore mapping and virtual screening. Chemical Biology & Drug Design 2006, 68: 154-165. |
| 28. | Kaur D, Sharma P, Bharatam PV and Dogra N. Substituent and solvent effects on the rotational barriers in selenoamides: A theoretical study. Journal of Molecular Structure: THEOCHEM 2006, 759: 41-49. |
| 27. | Lobana TS, Rekha, Butcher RJ, Castineiras A, Bermejo E and Bharatam PV. Bonding trends of thiosemicarbazones in mononuclear and dinuclear copper(I) complexes: Syntheses, structures, and theoretical aspects. Inorganic Chemistry 2006, 45: 1535-1542. |
| 26. | Patel DS and Bharatam PV. New leads for selective GSK-3 inhibition: pharmacophore mapping and virtual screening studies. Journal of Computer-Aided Molecular Design 2006, 20: 55-66. |
| 25. | Patel DS, Daga P, Bharatam PV, Dongare RK and Gadre SR. Molecular Electrostatic Potential (MESP) studies on the anti-hyperglycemic agents - 2,5-dihydroxyquinones. Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry 2006, 45A: 13-20. |
| 24. | Singh SK, Dessalew N and Bharatam PV. 3D-QSAR CoMFA study on indenopyrazole derivatives as cyclin dependent kinase 4 (CDK4) and cyclin dependent kinase 2 (CDK2) inhibitors. European Journal of Medicinal Chemistry 2006, 41: 1310-1319. |
| 23. | Ahmed M, Khanna S and Bharatam PV. Importance of Sulfoxidation in Rapid Racemisation of Glitazones. Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry 2005, 44B: 600-606. |
| 22. | Bharatam PV, Patel DS and Iqbal P. Pharmacophoric features of biguanidienes: An Electronic Structure Study. Journal of Medicinal Chemistry 2005, 48: 7615-7622. |
| 21. | Kaur D, Sharma P and Bharatam PV. Amide resonance in thio- and seleno- Carbamates: A Theoretical Study. Journal of Molecular Structure: THEOCHEM 2005, 757: 149-153. |
| 20. | Khanna S, Sobhia ME and Bharatam PV. Additivity of molecular fields: CoMFA study on dual activators of PPARalpha and PPARgamma. Journal of Medicinal Chemistry 2005, 48: 3015-3025. |
| 19. | Kumar PS and Bharatam PV. CoMFA study on selective human β3-adrenoceptor agonists. ARKIVOC 2005, 2005: 67-79. |
| 18. | Kumar PS and Bharatam PV. Theoretical studies on the S-N interactions in sulfoximine. Tetrahedron 2005, 61: 5633-5639. |
| 17. | Kumar PS, Bharatam PV, Singh P and Uppal P. Electronic structure of sulfimides: A theoretical study. Bulletin of the Chemical Society of Japan 2005, 78: 1417-1424. |
| 16. | Marwaha A, Bharatam PV, Mahajan MP. Effect of iminic nitrogen substituents on [4+2] versus [3+2] cycloaddition pathways in reactions of nitrosoalkenes with simple acyclic imines: An experimental and theoretical investigation. Tetrahedron Letters 2005, 46: 8253-8256. |
| 15. | Mittal S Khanna S, Roy A, Bharatam PV and Chawla HPS. Candida rugosa lipase mediated multigram synthesis of acid part of S(+)-atliprofen, a new NSAID and molecular modeling studies aimed at predicting selectivity of the enzyme. Enzyme and Microbial Technology 2005, 36: 232-238. |
| 14. | Sobhia ME and Bharatam PV. Comparative molecular similarity indices analysis (CoMSIA) studies of 1,2-naphthoquinone derivatives as PTP1B inhibitors. Bioorganic & Medicinal Chemistry 2005, 13: 2331-2338. |
| 13. | Aboye TL, Sobhia ME and Bharatam PV. 3D-QSAR studies of pyruvate dehydrogenase kinase inhibitors based on a divide and conquer strategy. Bioorganic & Medicinal Chemistry 2004, 12: 2709-2715. |
| 12. | Agrawal S, Ashokraj Y, Bharatam PV, Pillai PO and Panchagnula R. Solid-state characterization of rifampicin samples and its Biopharmaceutic relevance. European Journal of Pharmaceutical Sciences 2004, 22: 127-144. |
| 11. | Babu MA, Sobhia ME, Sharma M, Khanna S, Bharatam PV and Kaskhedikar SG. 3D-QSAR CoMFA CoMSIA studies on indomethacin derivatives as selective cyclooxygenase-2 inhibitors. Indian Journal of Pharmaceutical Sciences 2004, 66: 613-620. |
| 10. | Bharatam PV. Rapid Racemization in Thiazolidinediones: A Quantum Chemical Study. Journal of Physical Chemistry. A 2004, 108: 3784-3788. |
| 9. | Bharatam PV, Amita S and Senthilkumar P. Theoretical investigations on R(O)nS-NO (n=0,1,2) systems. Tetrahedron 2004, 60: 4801-4805. |
| 8. | Bharatam PV, Iqbal P, Malde A and Tiwari R. Electron delocalisation in aminoguanidine: A computational study. Journal of Physical Chemistry. A 2004, 108: 10509-10517. |
| 7. | Mittal S, Malde A, Selvam C, Arun KHS, Johar PS, Jachak SM, Ramarao P, Bharatam PV, and Chawla HPS. Synthesis and Evaluation of S-4-(3-thienyl)phenyl-alpha-methylacetic acid. Bioorganic & Medicinal Chemistry Letters 2004, 14: 979-982. |
| 6. | Parveen, Singh H, Singh TV, Bharatam PV and P Venugopalan. 5-Hydroxycyclooctanone - hemiacetal rearrangement: Ab initio mechanistic Study. Journal of Molecular Structure: THEOCHEM 2004, 685: 139-145. |
| 5. | Ramachandran U, Mital A, Bharatam PV, Khanna S, Ramarao P, Srinivasan K, Kumar R, Chawla HPS, Kaul CL and Raichur A. Studies on some glitazones having pyridine as the linker unit. Bioorganic & Medicinal Chemistry 2004, 12: 655-662. |
| 4. | Bharatam PV, Amita and Kumar PS. Electronic Structure of Sulfanenitriles. Bulletin of the Chemical Society of Japan 2003, 76: 1911-1917. |
| 3. | Bharatam PV, Moudgil R and Kaur D. Electron Delocalization in Isocyanates, Formamides, and Ureas: Importance of Orbital Interactions. Journal of Physical Chemistry. A 2003, 107: 1627-1634. |
| 2. | Pardasani RT, Pardasani P, Yadav SK and Bharatam PV. Theoretical Studies on the stereochemical course of 1,3-dipolar Cycloadditon of azomethine Ylides Derived from Indol- 2,3-dione and Thiazolidine-4-carboxylic Acid. Journal of Heterocyclic Chemistry 2003, 40: 557-563. |
| 1. | Bharatam PV, Moudgil R and Kaur D. Lewis Donor and Acceptor Interactions of Silylenes: A Theoretical Study. Organometallics 2002, 21: 3683-3690. |
| Reviews: 11 |
| 11. | Kamble P, Nagar PR, Bhakhar KA, Garg P, Sobhia ME, Naidu S, Bharatam PV. Cancer pharmacoinformatics: Databases and analytical tools. Functional & Integrative Genomics 2024, 24: 166. |
| 10. | Kathuria D, Raul AD, Wanjari P, Bharatam PV. Biguanides: Species with versatile therapeutic applications. European Journal of Medicinal Chemistry 2021, 219: 113378. |
| 9. | Muthusamy R, Bharatam PV. Molecular Modeling Studies on Cytochrome P450-mediated Drug Metabolism . Current Drug Metabolism 2021, 22: 683-697. |
| 8. | Jaladanki CK, Gahlawat A, Rathod G, Sandhu H, Jahan K, Bharatam PV. Mechanistic studies on the drug metabolism and toxicity originating from cytochromes P450. Drug Metabolism Reviews 2020, 52: 366-394. |
| 7. | Chourasiya SS, Kathuria D, Wani AA, Bharatam PV. Azines: synthesis, structure, electronic structure and their applications. Organic & Biomolecular Chemistry 2019, 17: 8486-8521. |
| 6. | Jain V, Bharatam PV. Pharmacoinformatic approaches to understand complexation of dendrimeric nanoparticles with drugs. Nanoscale 2014, 6: 2476-2501. |
| 5. | Arfeen M and Bharatam PV. Design of Glycogen Synthase Kinase-3 Inhibitors: An Overview on Recent Advancements. Current Pharmaceutical Design 2013, 19: 4755-4775. |
| 4. | Dixit VA and Bharatam PV. SAR and Computer-Aided Drug Design Approaches in the Discovery of Peroxisome Proliferator-Activated Receptor γ Activators: A Perspective. Journal of Computational Medicine 2013, 2013: Article ID 406049. |
| 3. | Adane L and Bharatam PV. Modelling and informatics in the analysis of P. falciparum DHFR enzyme inhibitors. Current Medicinal Chemistry 2008, 15: 1552-1569. |
| 2. | Bharatam PV, Patel DS, Adane L, Mittal A and Sundriyal S. Modeling and informatics in the design of anti diabetic agents. Current Pharmaceutical Design 2007, 13: 3518-3530. |
| 1. | Patel DS, Dessaalew, Iqbal P and Bharatam PV. Structure-based approaches in the design of GSK-3 selective inhibitors. Current Protein and Peptide Science 2007, 8: 352-364. |