Drug Discovery & Design Detailed Syllabus for Pharmaceutical Chemistry M.Pharm first year first sem is covered here. This gives the details about credits, number of hours and other details along with reference books for the course.<\/p>\n
The detailed syllabus for Drug Discovery & Design M.Pharm 2017-2018 (R17) first year first sem is as follows.<\/p>\n
M.Pharm. I Year I Sem.<\/p>\n
Course Objective:<\/strong> The topics are framed to enhance the student\u2019s knowledge in the various areas of molecular modelling, molecular docking, pharmacophore concepts, drug design techniques with detail concepts of all the mentioned areas.<\/p>\n Course Outcome:<\/strong> This enables the students to get a broad idea on the drug discovery mechanisms, its related terms and concepts of designing of drugs.<\/p>\n UNIT –\u00a0 I : Molecular modelling:<\/strong> Molecuelar Mechanics, Quantum Mechanics, Energy minimization, geometry optimization, conformational analysis, global conformational minima determination; approaches and problems. Bioactive vs. Global minimum conformations. Automated methods of conformational search. Advantages and limitations of available software. Molecular graphics. Molecular properties, reactivity, Homo, Lumo, Electrostatic potential, Solvent accessible surface.<\/p>\n UNIT – II : Pharmacophore concept:<\/strong> Pharmacophore mapping, methods of conformational search used i pharmacophore mapping. Comparison between the popular pharmacophore methods like Catalyst\/HipHop, DiscoTech, GASP with practical examples, 3D QSAR Techniques.<\/p>\n UNIT – III : Design of drugs for the following biological targets Agent acting on enzymes:<\/strong> DHFR, HIV-protease HMG-CoA Reductase, Phosphodiesterase, ACE, Transpeptidase, \u03b2-lactamase. Agents acting on receptors: PPAR, protein kinases. Agents acting on Nucleic acids: Topoisomerase, DNA and RNA polymerase, HIV-Reverse transcriptase<\/p>\n UNIT – IV : Molecular docking:<\/strong> Rigid docking, flexible docking, manual docking. Advantages and disadvantages of Flex-X, Flex-S, Autodock and Dock softwares, with successful examples. Molecular dynamics: Dynamics of drugs, biomolecules, drug-receptor complexes, Monte Carlo simulations and Molecular dynamics in performing conformational search and docking. Estimation of free energy from dynamical methods.<\/p>\n UNIT – V : De Novo drug design techniques:<\/strong> Receptor\/enzyme cavity size prediction. Predicting the functional components of cavities, designing drugs fitting into cavity. Active site analysis structure \u2013 based drug design. Informatics methods in drug design: Informatics methods in drug design: Brief introduction to bioinformatics, chemoinformatics.<\/p>\n REFERENCES:<\/strong><\/p>\n\n