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MSRIT IN SILICO Drug Design Sem 8
No Units Titles Sub Titles Chapters
1 Unit 1 Introduction to Drug Designing Absorption, Membrane permeability and drug physicochemical properties, Absorption from the oral cavity, Distribution, Elimination, Phase I metabolism & Phase II metabolism in drug elimination, Drug Formulation Aims, Oral Drug Delivery, Factors influencing the stereoselectivity of drug action and disposition in man VIEW CHAPTERS
2 Unit 2 Molecular Graphics, Intermolecular Forces and Molecular Modeling tools Components of Molecular Graphic Hardware, Software components of Molecular Graphics and Modeling Systems, Tutorials using SPDBV, Electrostatic interactions, the hydrogen bond, van der Waals interactions, Exchange repulsion, Free energies of interaction  gas phase and solution, Intramolecular forces and conformation VIEW CHAPTERS
3 Unit 3 Computer-Assisted New Lead Design Basic Concepts, Docking Problems and Methods, Experimental Techniques like X-Ray crystallography, NMR, Three dimensional structure databases- PDB, MMDB, Development of QSAR, Hydrophobicity descriptors, Electronic descriptors, Steric descriptors, 3-D descriptors, Topological descriptors, Statistical Analysis, Limitations and Pitfalls of QSAR, QSAR softwares VIEW CHAPTERS
4 Unit 4 Modeling Drug Receptor Interactions Receptors, introduction and definitions, Zinc Enzymes as Drug Targets, Receptors fitting, ligand binding interactions, Case studies, Carbonic anhydrase inhibitors and activators, Wnt signaling pathway and Glycogen synthase kinase inhibitors, Cyclooxygenase pathway and NSAID inhibitors VIEW CHAPTERS
5 Unit 5 Drug Discovery and Development Drug development process, Microfluidics for drug discovery and development, Clinical biomarkers in drug discovery and development, Computer Aided Drug Design (CADD), Limitations and proposals for maximizing CADD technologies VIEW CHAPTERS
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