Workshop details
OriGene Biosolutions is a premier life science research and training organization dedicated to advancing bioinformatics and data analysis. Tailored solutions for your bioinformatics needs.
7-Day Workshop on Computer-Aided Drug Designing (CADD)
About the Workshop
This workshop covers the core principles and workflows in rational drug design using computational tools. Participants will learn target identification, ligand preparation, molecular docking, virtual screening, and ADMET prediction with practical exercises.
Who Can Join
Pharma students, researchers, bioinformaticians, and life science professionals interested in drug discovery.
Prerequisites
Basic knowledge of molecular biology, chemistry, and protein structure.
Day 1: Introduction to Drug Discovery and CADD
- Overview of drug discovery pipeline
- Role of computational methods in drug design
- Basics of target identification and validation
- Ligand databases (ZINC, PubChem) and ligand preparation
- Protein structure preparation and active site identification
- Tools: Open Babel, Chimera for structure cleaning
- Docking theory, algorithms, and scoring functions
- Tools: AutoDock Vina setup and workflow
- Virtual screening strategies and workflows
- High-throughput screening concepts
- Protein-ligand interactions (hydrogen bonds, hydrophobic, electrostatic)
- Visualization with PyMOL and Discovery Studio Visualizer
- Introduction to ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity)
- Drug-likeness rules (Lipinski's Rule of Five)
- Tools: SwissADME, pkCSM
- Complete workflow of drug design on a selected target
- Prepare and present a mini-project report
- Discussion on challenges and future of CADD