SeerPharma Pty Ltd :: DISCover web-based training :: Computer-Assisted Drug Design

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Computer-Assisted Drug Design

Description: This course gives an introduction to the use of computers for protein-based and small molecule drug design. It covers protein and antibody reengineering, peptide design, and structure based analysis of small molecule drugs. Computer modeling of drug-receptor interactions, and its use for structure optimization is also described.

COURSE OUTLINE

INTRODUCTION
1. Course Description
2. Objectives
3. CADD Overview
4. Progress Check

PROTEIN DESIGN
5. Objectives
6. Protein Design
7. Protein Engineering
8. Therapeutic Peptides
9. Progress Check

ANTIBODY ENGINEERING
10. Objectives
11. Antibody Structure
12. Antibody Engineering
13. Antibody Therapeutics
14. Phage Display
15. Progress Check

DRUG DESIGN
16. Objectives
17. Small Molecule Design
18. SARs
19. Affinity and Selectivity
20. Structure Based Design
21. Drug Pharmacophores
22. Progress Check

DRUG OPTIMIZATION
23. Objectives
24. Library Design
25. Lead Optimization
26. Applications: HIV
27. Progress Check

COURSE OBJECTIVES

Students completing this course should be able to:

List the four major applications of computers to drug design
Give examples of the use of computers to design or modify proteins, antibodies, drugs, or drug libraries
Specify the three major applications of protein
Define what site-directed mutagenesis is
Describe what a peptidomimetic is
Describe the structure of the antibody molecule
Specify the four major types of therapeutic antibodies
Define the region of an antibody that recognizes foreign antigens
Give three examples of antibody therapeutics
List the nine steps involved in creating antibodies via phage display
List the four physical-chemical principles used in small molecule drug design
Describe how structure-activity relationships have been enhanced by high-throughput screening
Define affinity and selectivity of a drug to its target receptor
Specify the four major interactions involved in structure-based drug design
Understand the key features of a drug pharmacophore
List some of the parameters involved in designing combinatorial drug libraries
Define the two major parameters in drug optimization that can benefit from drug design
Specify the amino acids at the active site of HIV protease and the point of cleavage
Name two drugs that are non-symmetric HIV protease inhibitors

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