Computer Aided Drug Design
Drug discovery and development is a time consuming and expensive process., taking about 10 years and costing about US 1.0 B dollars. Several candidates that enter clinical trials fail because of several reasons. Computer assisted drug design can speed up the process, reduce surprises and predict the properties, thereby reduce the cost of R&D. The course will cover structure and target based design, molecular modeling, quantum mechanics, drug likeness properties, QSAR and pharmacokinetic and dynamics using several softwares that are freely available.
Week 1 : Introduction to drug discovery
Week 2 : Structure and property
Week 3 : ADME-rules
Week 4 : Force field/MM/QM
Week 5 : Boundary conditions/Conformation
Week 6 : QSAR/Pharmacophore
Week 7 : Enzymes/proteins structures/docking
Week 8 : PK/PD.