Chandra:SE 302

SE 302: Computational Approaches to Drug Discovery

Syllabus

• Introduction to the process of drug and vaccine discovery,
• Principles of drug action,
• Drug and target structures,
• Brief introduction to systems biology, pharmacology and chemoinformatics,
• Use of genomics and proteomics for understanding diseases at the molecular level,
• Sequence-structure-function relationship in proteins,
• Strategies for target identification and validation,
• Protein structure prediction,
• Molecular modeling protein-ligand interactions,
• Structure-based ligand design,
• Lead identification, design and lead optimization,
• Challenges in drug and vaccine discovery,
• Relevant algorithms and topics from current literature.

Reading

• Mount DW, Bioinformatics - Sequence and Genome Analysis, 2nd Edition, Cold Spring Harbor Laboratory Press, 2004. ISBN: 0879697121
• Mannhold R, Kubinyi H, Timmerman H (Editors), Bioinformatics - From Genomes to Drugs Vol.I & II, Wiley - VCH, 2002 ISBN: 3527299882
• Flower, D R (Editor), Drug Design - cutting edges approaches, Royal Society of Chemistry, 2002. ISBN: 0854048162