MC-510: Basics of Drug Action		(2 credits)
1.	Structure of drugs, structure of macro molecules and structures of their complexes. The importance of 3D Structure in Drug Action analysis. Electronic structure of drugs – metformin, omeprazole, Isoniazid, etc. Electronic structure of ketenes and its importance in the generation of -lactams. Conservation of orbital symmetry and Diels-Alder reaction. Group theory and Graph theory of drug molecules.
2.	Energy concept and its importance in drug action. Energy of Drugs. Internal energy vs. thermodynamics. Interaction energy and free energy of drug – macromolecule interactions. First, Second and Third laws of thermodynamics and the principles derived from these laws which are of significance to drug action.
3.	Free energy and Relationship between thermodynamics and statistics. Thermodynamic cycle. Statistical thermodynamics in predicting the structure of biomolecules and their interaction with drug molecules. Macromolecular vs. micromolecular correlation using thermodynamics and statistical thermodynamics.
4.	Inter- and intramolecular interactions. Weak interactions in drug molecules. Covalent, ion-ion, ion-dipole, Hydrogen bonding, C-H hydrogen bonding, dihydrogen bonding, Van der Waals interactions and the associated energies. Charge transfer interactions, salt bridges, homolytic vs. heterolytic cleavage energies.
5.	Receptors: Recognition and amplification components of Drug-receptor interactions, Receptor theories and drug action: Occupancy Theory, Rate Theory, Induced Fit Theory, Macromolecular perturbation theory, Activation-Aggregation theory. Topological and stereochemical consideration.
6.	Enzyme Action: Enzyme - substrate interactions. Enzyme catalysis. Enzyme kinetics. Mechanisms of enzyme catalysis, Electrostatic catalysis and desolvation. Covalent catalysis, Acid-base catalysis, Strain / distortion in enzyme catalysis. Coenzyme catalysis.
7.	Enzyme - inhibition: Enzyme - Inhibitor interactions, drug action through enzyme inhibition. Varieties of enzyme inhibition – inhibition at substrate binding domain, inhibition at allosteric binding domain, metals as inhibitors. Examples based on PDE4, GSK3, etc. Theories of enzyme inhibition and inactivation. Enzyme activation of drugs prodrugs. Mechanism based Inhibition (MBI) of cytochromes.
8.	Nucleic Acids (NA) as targets for drug action. Structure of NA, topology of NA. NA as receptors. NA-interactive agents. Classes of drugs that interact with nucleic acids. Intercalation, NA-alkylation, NA-strand breaking and their importance in drug action. Topoisomerase inhibition via NA binding. DNA cleavage.
9.	Drug likeness concept: DruLiTo and drug likeness property evaluation. Organic chemistry of Drug metabolism, drug deactivation and elimination. Organic chemistry of drug toxicity. Enumeration methods, chemical property methods, Lipinski's rules, Weber rules, Ghoshe rules, etc.
10.	Biotrasnformation and associated drug action: Phase I and Phase II transformations. Concept of hard and soft drugs. Role of cytochromes in oxidation of drugs. Consequences of drug oxidation reactions. Radical reactions vs. ionic reactions.