CompChem Hub

CompChem Hub is a research-driven institute focused on advancing drug discovery and computational sciences through education, innovation, mentorship, and project support. It serves researchers, students, and professionals seeking practical expertise and in-silico solutions. Its services span Computer-Aided Drug Design (CADD), bioinformatics, and capacity building.

CADD offerings include virtual screening, molecular dynamics simulations, lead identification and optimization, ADMET and drug biotransformation prediction, drug repurposing, similarity searches, pharmacophore modeling, and structure-, ligand-, or fragment-based design. Bioinformatics services and training cover immunoinformatics, vaccine candidate discovery, diagnostic antigen design, gene silencing, sequence analysis, and structural bioinformatics. CompChem Hub also provides expert-led courses, workshops, mentorship, and hands-on training, with flexible programs for different learning needs.

For research projects, its team offers guidance in research design, computational analysis, and publication-ready outcomes. Its portfolio includes work on virtual screening of cardiovascular drugs as potential RAGE inhibitors and an ongoing project designing multi-target inhibitors against bacterial drug resistance. Through computational tools and practical instruction, CompChem Hub helps build skills and support research across drug discovery and related fields