Structural Bioinformatics Lab

                                                                                                                            Research Theme

Our studies focus on advanced biophysical methods for the identification of potential bioactive molecules that could be developed as effective drugs against target proteins associated with different diseases. We have suggested bioactive molecules showing better binding potential and inhibitory capacities than standard drugs available in the marketplace for a range of diseases including cancer, HIV, diabetes, and neurological disorders. The computationally suggested molecules also showed promising results in in-vitro, and animal model studies. These bioactive molecules are an easy pick for the pharmaceutical industry for further biological assessments related to drug development and help India to evolve as a major drug and herbal-based health care product leader in the world market.

Our research showed that the bioactive molecules from Himalayan plants Viola odorata, Dactylorhiza hatagirea, Hypericum perforatum, and Swertia chirata had enormous potential to act as entry inhibitors against HIV virus. Also, bioactive molecules derived from Cedrus deodara could be used to target several types of cancers. We also showed the potential of bioactive molecules of Camellia sinensis (Tea plant) to target several key proteins of SARS-CoV-2. This opens new opportunities to cultivators, gatherers, and collectors for enhancing household incomes and the long-term livelihood of the community through sustainable collection and cultivation practices of medicinal plants.

Providing scientific evidence for the therapeutic use of molecules derived from the Indian Himalayan region would create new opportunities for national and international trade. Several drugs or precursor molecules are imported to India on a large scale. However, identification and development of plant-derived within the country would cut down dependencies on other countries. This would help in strengthening the idea of Self-reliant India/AatmaNirbhar Bharat.