Teaching

In Silico Innovation: Computer-Aided Drug Design and Network Pharmacology is a specialized course focused on computational approaches to modern drug discovery. The course integrates bioinformatics, computer-aided drug design (CADD), and network pharmacology to provide rigorous theoretical and practical training in systems-level drug discovery.

The curriculum emphasizes the use of biological databases and sequence analysis tools for molecular characterization and functional annotation, followed by advanced computational methodologies including structure- and ligand-based drug design, protein structure modeling, molecular docking, pharmacophore modeling, molecular dynamics simulations, and in silico ADME and toxicity assessment. Systems pharmacology concepts are addressed through compound–target prediction, protein–protein interaction network analysis, functional enrichment, pathway analysis, and integrated drug–target–pathway network construction.

The course structure combines hands-on practical sessions, case studies, and project-based learning to develop proficiency in the integration of multi-scale computational tools for rational, multi-target drug discovery and translational bioinformatics research.