Module 1: Molecular Docking Studies
Led by Dr. Bijo Mathew, Professor,
Dept of Pharmaceutical Chemistry, Amrita school of Pharmacy
Software Used: MZ Dock
Session Aides: Ms Sachithra S (PhD Scholars Amrita school of Pharmacy)
This module introduces participants to the fundamentals of molecular docking, a key in silico tool in structure-based drug design. Using MZ Dock, participants will gain insights into:
- Basics of ligand–receptor interactions
- Protein and ligand preparation
- Docking protocol setup and execution
- Scoring functions and interpretation of binding results
- Case studies demonstrating application in hit identification
This session is ideal for beginners and intermediates aiming to explore virtual screening and binding affinity predictions in early-stage drug discovery.
Module 2: Network Pharmacology
Led by Dr. Aneesh T. P., Associate Professor & HOD,
Dept. of Pharmaceutical Chemistry, Amrita school of Pharmacy
Software Used: STRING Database & Cytoscape
Session Aides: Ms Sonu Benny, Mr. Vishnu V R (PhD Scholars Amrita school of Pharmacy)
This module provides an overview of systems-level drug discovery using network pharmacology approaches, enabling participants to:
- Identify and construct protein–protein interaction (PPI) networks
- Use the STRING database for target prediction and functional enrichment analysis
- Visualize and analyze biological networks using Cytoscape
- Interpret network topology and identify key regulatory nodes
- Apply network pharmacology to multi-target drug design and disease pathway mapping
Participants will walk away with a strong foundation in integrating biological data for multi-target drug discovery and mechanism-of-action prediction.