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Updated: Jun 2, 2026
Protein Target Prediction and Validation of Small Molecule Compound
Published on: February 23, 2024
In silico approaches: prediction of biological targets for fullerene derivatives
Shailendra K Gupta1, Alok Dhawan, Rishi Shanker
1Nanomaterial and Environmental Toxicology Groups, Indian Institute of Toxicology Research (Council of Scientific and Industrial Research, India), P.O. Box 80, M.G. Marg, Lucknow 226001, India.
Abstract:
Fullerene and their derivatives have many potential new applications. However, there is increasing concern regarding toxicity as very little information is available about fullerene derivatives--protein interactions. In the present work, to identify proteins interacting with chiral fullerene derivatives, Potential Drug Target Database was searched using reverse docking approach. Hypoxanthine phosphoribosyltransferase and Beta-secretase-1 were found to be the most favorable protein targets for fullerene derivatives.
