About Course
This course introduces computer-aided drug discovery, cheminformatics, drug discovery and development, drug-target interactions, protein structure, structure-based drug design, homology modeling, molecular docking, ligand-based drug design, QSAR, pharmacophore modeling, and virtual screening.
Course abbreviation: CADD
Instructor: Dr. Ahmed El Kerdawy
Associate Professor of Pharmaceutical Chemistry and Drug Design, Faculty of Pharmacy-Cairo University; Head of Chemistry Department, School of Pharmacy, Newgiza University.
Workload: 12 weeks plus end-of-course assessment. Theory 1-2 hours and practical 1-2 hours.
Entrance requirements: Not specified
Used media: Course slides and practical CADD software/tools
Objectives
- Understand the drug discovery and development process
- Learn computer-aided drug design approaches
- Understand drug-target interactions and protein structure
- Apply structure-based and ligand-based drug design methods
Competences to be Developed
- Use databanks for drug-like molecules and protein structures
- Apply homology modeling and molecular docking simulations
- Use similarity search and target prediction tools
- Build QSAR and pharmacophore models
- Perform virtual screening
Assessment
- End-of-course assessment
- Graduation project discussion
Course Content
Week 1: Introduction
-
Modern Drug Discovery and Development Process
00:00
Week 2: Introduction
Week 3: Introduction
Week 4: Introduction
Week 5: Structure-based Drug Design
Week 6: Structure-based Drug Design
Week 7: Structure-based Drug Design
Week 8: Ligand-based Drug Design
Week 9: Ligand-based Drug Design
Week 10: Ligand-based Drug Design
Week 11: Ligand-based Drug Design
Week 12: Ligand-based Drug Design
Week 13: End of Course Assessment
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