Research Projects

The proposed five-year plan is strategically structured into four integrated work packages (WP1-WP4), designed to advance from computational design to translational preclinical readiness. Each year builds upon the previous phase, ensuring seamless progression. Year 1: Computational drug design and virtual screening. Using AI-driven platforms, pharmacophore modeling, docking, QSAR, and ADMET predictions, a virtual library of 500 molecules will be generated. From this, 20-25 promising dual-target candidates will be shortlisted. Addresses a major gap in Indian research-limited integration of computational intelligence with medicinal chemistry-projecting novelty in lead identification. Years 2-3: Synthesis and optimization. Approximately 40 analogs will be synthesized through scalable, green chemistry approaches such as C–C coupling and Click chemistry. Comprehensive structure–activity relationship (SAR) studies will optimize potency, selectivity, and scalability. In parallel, in vitro biological evaluation will begin, like cytotoxicity assays, tubulin and co-target inhibition studies, providing 3-5 lead compounds, filling the current national gap. Years 3-4: In vivo pharmacology. Pharmacokinetic profiling (oral/i.v.), xenograft tumor regression, toxicity assessments, and biomarker studies will be performed. The integration of in vivo pharmacology with dual-target validation is novel in the Indian context, where preclinical pipelines are often fragmented. Simultaneously, nanoformulation strategies) will be developed to enhance bioavailability and tumor targeting, addressing gaps in delivery optimization. Years 4-5: Preclinical readiness. Lead compounds will be nanoformulated, with stability, biodistribution, and efficacy established. Two to three preclinical candidates with favorable PK, safety, and tumor regression data are anticipated. A preclinical dossier will be prepared, accompanied by patents, publications, and technology transfer prospects. Engagement with industry and CROs will bridge the translational gap, positioning the host institute as a hub for affordable precision oncology innovations. Novelty and Impact This plan introduces AI-assisted dual-target design, cost-effective synthetic strategies, and nanoformulated delivery systems into the department’s research ecosystem-areas currently underexplored in India. By addressing the gaps of poor translational readiness, insufficient ADMET/nanoformulation studies, and limited industry linkage, the program will significantly uplift the department’s innovation stature. The outcomes-patents, high-impact publications, industrial collaborations, and preclinical-ready anticancer candidates-will enhance the host institute’s reputation as a leader in affordable, next-generation cancer therapeutics. This trajectory not only aligns with global oncology frontiers but also projects the institute’s capability to deliver impactful, cost-conscious innovations for both national and international healthcare.