The Rathi Group operates at the innovative interface of chemistry and biology, dedicated to the discovery of novel therapeutics for parasitic diseases, cancer, rare diseases, and topical applications. Our research is anchored in a "Design-to-Discovery" workflow that integrates Rational Drug Design with Sustainable Organic Synthesis. We specialize in developing green chemistry protocols and facile synthetic methodologies for Active Pharmaceutical Ingredients (APIs) and diverse molecular libraries. A major thrust of our group is the discovery of multistage anti-parasitic agents capable of targeting the parasite across its entire life cycle—from the liver and asexual blood stages to the gametocyte and insect ookinete stages—thereby providing a comprehensive approach to disease eradication

To drive these discoveries, we leverage an advanced Computational and Biological infrastructure. Our computational pipeline employs Molecular Docking, MD Simulations, MM/GBSA calculations, and ADME profiling to rationally design inhibitors with high predictive accuracy. These molecules are then rigorously validated in our biological wing through High-Throughput Screening (HTS), specialized anti-parasitic assays, and cancerous cell culture studies. As we evolve, we are incorporating Protein Wet-Lab expertise to provide deep mechanistic insights into protein-ligand engagement. This holistic integration of in-silico modeling and invitro validation positions the Rathi Group at the forefront of modern medicinal chemistry