Virtual screening and pharmacophore modeling are essential approaches in structure-based and ligand-based drug design (SBDD & LBDD). These methods allow researchers to efficiently explore compound libraries, identify potential drug candidates, and understand critical features required for bioactivity.

This course, guided by Fachrur Rizal Mahendra, S.Si., M.Si. (Bioinformatics Research Center – INBIO), introduces participants to the principles, workflows, and applications of virtual screening and pharmacophore modeling, along with practical sessions on dataset preparation and result interpretation.

• Introduction to Virtual Screening: Introduction to Virtual Screening, Types of Virtual Screening (LBVS and SBVS), Compound Libraries and Databases
• Pharmacophore Modeling Concepts: What is a Pharmacophore?, Pharmacophore Modeling Approaches, Pharmacophore Workflow in LBDD, Applications of Pharmacophore Modeling
• Hands-On: Ligand Dataset Preparation, Building a Pharmacophore Model, Virtual Screening Exercise, Analyzing and Interpreting Results