DRUG DISCOVERY AND MOLECULAR DOCKING || CIIMS

Course Details

Drug discovery
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DRUG DISCOVERY AND MOLECULAR DOCKING

By Prof.(Dr.)Savinder Singh
27/Nov/2025
0 Students

Course Description

Introduction to Drug Discovery Pipeline

This module provides a comprehensive overview of the modern drug discovery process, blending theory with practical applications. Participants will explore the fundamental concepts, computational tools, and real-world case studies that shape today’s pharmaceutical innovations.

📌 Key Components

Basics of Molecular Docking
- Understand how small molecules interact with biological macromolecules.
- Learn the principles of binding affinity, scoring functions, and docking algorithms.
Target Identification & Validation
- Explore strategies to identify potential drug targets (enzymes, receptors, nucleic acids).
- Learn validation techniques to ensure biological relevance and therapeutic potential.
Types of Drug Targets
- Study diverse categories such as GPCRs, ion channels, kinases, and viral proteins.
- Discuss their role in disease pathways and drug development.
Introduction to Docking Tools (AutoDock, PyRx)
- Get familiar with widely used computational platforms for docking simulations.
- Learn how to set up docking experiments and interpret results.
Hands-on Docking & Visualization
- Practical training in performing docking experiments.
- Use visualization tools to analyze ligand–protein interactions and binding poses.
Case Study: COVID-19 Drug Docking
- Apply docking techniques to SARS-CoV-2 proteins.
- Review how computational docking accelerated the search for antiviral candidates during the pandemic