SE 302: Computational Approaches to Drug Discovery
- 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.
- Mount DW, Bioinformatics - Sequence and Genome Analysis, Cold Spring Harbor Laboratory Press, 2001.
- Mannhold R, Kubinyi H, Timmerman H (Editors), Bioinformatics - From Genomes to Drugs Vol.I & II, Wiley - VCH, 2002
- Flower, D R (Editor), Drug Design - cutting edges approaches, Royal Society of Chemistry, 2002.