Chandra:SE 302
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SE 302: Computational Approaches to Drug Discovery
2006 Meetings
The meetings will be in SERC Room 102 on Tuesdays and Thursdays at 4-00 pm.
Lecture Notes
- 7th March 2006. Classification of Protein Structure.
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
