This course delves into the world of in silico studies, focusing on the pivotal role they play in drug discovery and development. Participants will explore the concepts and methodologies involved in predicting druglikeness, evaluating ADMET properties (Absorption, Distribution, Metabolism, Excretion, and Toxicity), and forecasting bioactivity through computational models. Understanding molecular docking, participants will learn how to simulate and analyze interactions between small molecules and target proteins to predict binding affinities and optimize drug design. The curriculum combines theoretical principles with hands-on applications using various software tools to empower participants with the skills needed to navigate in silico studies effectively and contribute meaningfully to pharmaceutical research and development.

1. Introduction to in silico tools
2. ADMET prediction
3. Druglikeness and Bioactivity prediction
4. Molecular docking simulation
5. Molecular docking result analysis
6. Case study simulation