Registration No.:	PI/2009/XVII/221/P
Name:	Vaibhav Jain
Connect at:	Linkedin
Ph.D. Thesis Title:
Pharmacoinformatic studies on Dendrimeric nanoparticles and their complexes with drug molecules
Research: 12
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.
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.
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.
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.
Arvind A, Jain V, Saravanan P and Mohan CG. Uridine monophosphate kinase as potential target for tuberculosis: From target to lead identification. Interdisciplinary Sciences-Computational Life Sciences 2013, 5: 296-311.
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.
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.
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.
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.
Jain V, Saravanan P, Arvind A and Mohan CG. First Pharmacophore Model of CCR3 Receptor Antagonists and its Homology Model-Assisted, Stepwise Virtual Screening. Chemical Biology & Drug Design 2011, 77: 373-387.
Jain V, Pandey A, Gupta S and Mohan CG. Ligand-based molecular design of 4-benzylpiperidinealkylureas and amides as CCR3 antagonists. Journal of Molecular Modeling 2010, 16: 669-676.
Mungalpara J, Pandey A, Jain V and Mohan CG. Molecular modelling and QSAR analysis of some structurally diverse N-type calcium channel blockers. Journal of Molecular Modeling 2010, 16: 629-644.
Review: 1
Jain V, Bharatam PV. Pharmacoinformatic approaches to understand complexation of dendrimeric nanoparticles with drugs. Nanoscale 2014, 6: 2476-2501.