| 20th April 2021 05:42 PM | |
| Arvind Kumar | Sathyabama Institute of Science and Technology B.Sc - Biotechnology SBB1612 Molecular Modeling & Drug Design Syllabus Sathyabama Institute of Science and Technology B.Sc - Biotechnology SBB1612 Molecular Modeling & Drug Design Syllabus SATHYABAMA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL OF BIO & CHEMICAL ENGINEERING SBB1612 MOLECULAR MODELLING AND DRUG DISCOVERY L T P Credits Total Marks 4 0 0 3 100 UNIT 1 CONCEPTS IN MOLECULAR MODELING 12 Hrs. Introduction, Coordinate systems, Energy surfaces. Introduction to Quantum mechanics - Schrodinger wave equation, Born-Oppenheimer Approximation. UNIT 2 MOLECULAR MECHANICS 12 Hrs. Force field - Bond Stretching, Angle bending and Torsion angle, Covalent bond, Non-bonding interactions. Introduction to Energy minimization, Computer simulations, Conformational analysis. UNIT 3 DRUGS 12 Hrs. Hard drugs, Soft drugs. Prodrugs. Drug targets - Enzymes, Receptors, Proteins, Nucleic acids, Lipids. Drug solubility, Drug Metabolism. UNIT 4 DRUG DISCOVERY AND DESIGN 12 Hrs. Steps in drug Development, Computer aided drug design- structure based, Ligand based, Lead discovery, Pharmacophore. Molecular docking, QSAR UNIT 5 COMPUTATIONAL REPRESENTATION OF MOLECULES 12 Hrs. Chemical Databases – PDB LIGAND, PUBCHEM, ZINC. Sources of data for 3D structures – PDB, PDB Sum. SMILES Notation. Max Hours.60 END SEMESTER EXAMINATION QUESTION PAPER PATTERN Max. Marks: 100 Exam Duration: 3 Hrs. PART A: 10 questions of 2 marks each - No choice 20 Marks PART B: 2 questions from each unit of internal choice; each carrying 16 marks 80 Marks |
