On 24th and 25th July, 2025, Department of Pharmacognosy and Pharmacology organized 2 days’ workshop on “Network Pharmacology and Molecular Docking: Computational Tools for Drug Design” at East West College of Pharmacy, Bengaluru. It was conducted to enhance participants’ knowledge and practical skills in computational drug discovery. The primary objective was to familiarize attendees with in silico approaches for identifying potential drug targets and simulating interactions between small molecules and biological macromolecules.
Day one began with the inauguration ceremony, followed by an introductory session that covered the fundamentals of network pharmacology. The session included an overview of key software tools and databases used in the field. A scientific lecture was delivered on topics such as network pharmacology in drug design, multi-target drug discovery, and the relevance of systems-level approaches in modern pharmacology. The day concluded with a hands-on training session, where participants engaged in the construction and analysis of pharmacological networks using computational tools.
Day two focused on the principles and workflow of molecular docking. Participants were introduced to search algorithms, scoring functions, and the detailed steps involved in performing docking studies. Software tools used for docking—along with their system requirements and installation procedures—were discussed thoroughly. This was followed by practical training, where attendees performed docking exercises using real-world compound and protein structures.
The workshop successfully introduced participants to advanced computational tools for drug discovery and fostered an environment that bridged the gap between theoretical knowledge and practical application. Such initiatives significantly contribute to capacity building in bioinformatics and cheminformatics research, equipping participants with the necessary skills for interdisciplinary scientific challenges.
