Details of LS4213 (Spring 2027)
| Level: 4 | Type: Theory | Credits: 4.0 |
| Course Code | Course Name | Instructor(s) |
|---|---|---|
| LS4213 | Drug Discovery | Alakesh Bisai, Subrata Pramanik |
| Preamble |
|---|
| Drug discovery resides at the core of biological and biomedical science and
engineering, as it provides a fundamental understanding of the molecular, biochemical, cellular, and physiological basis of drug targets and receptors, as well as the chemistry of drugs and their pharmacological and therapeutic effects on physiological systems. Learning about advances in drug discovery, therefore, has important implications for anyone working in healthcare and related sectors. In this context, this course aims to build on foundational knowledge of drug chemistry and receptor pharmacology and their translation to explore the latest advances in drug discovery and industrial applications. |
| Syllabus |
|---|
| Overview of drugs and medicine: Drugs and drug targets, drug nomenclature,
physicochemical aspects (e.g., optical, geometric, isosteres, and bioisosterism) of drug-like molecules, pharmacophore, Lipinskis rule of five, and pharmacokinetics. Overview of receptors: Enzymes, receptors, genes, nucleic acids, pharmacodynamics, enzyme kinetics, signal transduction pathways for drug targeting, for example, G-protein-coupled receptors, ion channel receptors. Ligand-based drug design: screening of drug library, determining Hit and Lead compounds, lead validation using various bioassays, optimizing target interactions: structure activity relationships (SAR), quantitative SAR (QSAR), pharmacophore design, strategies in drug design, prodrugs, reducing toxicity. Receptor-based drug design: Understanding the binding site of the receptor, determination of the 3D structure, position of the binding groups, allosteric modulators, dynamics of drug- receptor interactions, optimizing interactions with the target receptors, nucleic acids as drug targets. Chemical and synthetic biology for drug discovery: small molecules, natural products, engineered proteins and peptides, gene therapy, and oligonucleotides such as siRNA as drugs. Computer-Aided Drug Design (CADD): Chemical structures drawing of drugs and receptors, energy minimization, molecular properties, conformational analysis, screening of databases for lead compounds, QSAR, molecular docking, molecular dynamics, and AI/ML-driven deep learning for de novo drug design. Case study of drug design: antimicrobial agents, anticancer agents, and drugs acting on the nervous system. Preclinical and clinical development: Toxicity testing, therapeutic index, in vitro and in vivo models, pharmaceutical formulation and stability testing, bioavailability, clinical trials, and introduction to patenting and regulatory affairs. |
| References |
|---|
| Textbook: Drug Design and Discovery by Kristian Stromgaard, Povl Krogsgaard-Larsen, Ulf
Madsen Graham L. Patrick, An Introduction to Medicinal Chemistry. 3rd ed.; Oxford University Press: 2005. Kristian Strmgaard, Povl Krogsgaard-Larsen, Ulf Madsen; Textbook of Drug Design and Discovery, CRC Press Taylor & Francis Group, 2017. Thomas Nogrady, Donald F. Weaver, Medicinal Chemistry: A Molecular and Biochemical Approach; 3rd ed.; Oxford University Press, 2005. |
Course Credit Options
| Sl. No. | Programme | Semester No | Course Choice |
|---|---|---|---|
| 1 | IP | 2 | Not Allowed |
| 2 | IP | 4 | Not Allowed |
| 3 | MP | 2 | Not Allowed |
| 4 | MP | 4 | Not Allowed |
| 5 | MR | 2 | Not Allowed |
| 6 | MR | 4 | Not Allowed |
| 7 | MS | 10 | Not Allowed |
| 8 | MS | 4 | Not Allowed |
| 9 | MS | 6 | Not Allowed |
| 10 | MS | 8 | Not Allowed |
| 11 | RS | 1 | Not Allowed |
| 12 | RS | 2 | Not Allowed |