Chandra:SE 302

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{{ChandraLab}}
==SE 302: Computational Approaches to Drug Discovery==
==SE 302: Computational Approaches to Drug Discovery==
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===2006 Meetings===
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The meetings will be in SERC Room 102 on Tuesdays and Thursdays at 4-00 pm.
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===Lecture Notes===
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*7th March 2006. '''[[:Image:SE-302-prt_classification.pdf|Classification of Protein Structure]]'''.
===Syllabus===
===Syllabus===
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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 currentliterature.
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*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===
===Reading===
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*Mount DW, Bioinformatics - Sequence and Genome Analysis, Cold Spring Harbor Laboratory Press, 2001.
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*Mount DW, Bioinformatics - Sequence and Genome Analysis, 2nd Edition, Cold Spring Harbor Laboratory Press, 2004. [http://www.amazon.com/gp/product/0879697121/ '''ISBN: 0879697121''']
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*Mannhold R, Kubinyi H, Timmerman H (Editors), Bioinformatics - From Genomes to Drugs Vol.I & II, Wiley - VCH, 2002
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*Mannhold R, Kubinyi H, Timmerman H (Editors), Bioinformatics - From Genomes to Drugs Vol.I & II, Wiley - VCH, 2002 [http://www.amazon.com/gp/product/3527299882/ '''ISBN: 3527299882''']
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*Flower, D R (Editor), Drug Design - cutting edges approaches, Royal Society of Chemistry, 2002.
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*Flower, D R (Editor), Drug Design - cutting edges approaches, Royal Society of Chemistry, 2002. [http://www.amazon.com/gp/product/0854048162/ '''ISBN: 0854048162''']

Current revision

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Contents

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

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
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