Unit 1:
Introduction to Drug Design and Its Development (8 Hrs)Definition, history (chronological evolution), drug design approaches, lead optimization, de Novo drug design, various sources of new drugs, leads from natural products, molecular modifications, random screening, high throughput screening, insilico screening, structural features and pharmacological activity, prodrugs, soft drugs.Unit 2: Drug-Receptor Interactions(10 Hrs)Historical background, receptor theories, forces involved in drug receptor interactions, covalent & non-covalent interactions, agonist and antagonists, introduction and general principles of route of drug administration, pharmacokinetics (absorption, distribution, metabolism and excretion), specific and non-specific drug action, concept of receptors, drug-receptor interactions, receptor theories, ion-channels and membrane-bound enzymes.
Unit 3:
QSAR in Drug Design (10 Hrs)Parameters and biological data for QSAR, design of test series in QSAR, Craig plot, assessment of drug activity, mechanism of drug action, drug metabolism pathways, drug potentiation, drug antagonism and drug resistance, molecular mimetics, drug-lead modification, drug design using QSAR and computer assisted design,
Unit 4:
Computers in Drug Design (10 Hrs)Introduction, data base and information retrieval techniques, computer graphics and molecular visualization, molecular interactions and interactive graphics, computational chemistry overview, force field methods, geometry optimization, conformational searching.Introduction to molecular mechanics, molecular dynamics & quantum mechanics (semiempirical & ab initio methods), molecular dynamics simulations, modelling in medicinal chemistry-uses and limitations, logical structural approaches, activity profile selection, structure-based drug design and pharmacophore perception, predictive ADME.
Unit 5:
Pharmacokinetics in Drug Designing(10 Hrs)Introduction, absorption, distribution, metabolism and excretion of drugs, principles of pharmacokinetics, environmental pharmacokinetics, single and two compartment pharmacokinetics, pharmacokinetics of drug metabolism, dissection of a drug molecule into bifunctional moieties, modulation of pharmacokinetics by molecular manipulations, Lipinskis rule, QSPR, biopharmaceutics, generic equivalence and non-equivalence, role of biopharmaceutics in drug designing, bioavailability and bioequivalence, pharmacogenetics, adverse drug reaction, drug interactions, bioassays and preclinical studies, clinical trials.