title: In silico approaches: prediction of biological targets for fullerene derivatives.
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.
authors.affiliation: Nanomaterial 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.
authors.forename: Shailendra K
authors.initials: SK
authors.lastname: Gupta
authors.forename: Alok
authors.initials: A
authors.lastname: Dhawan
authors.forename: Rishi
authors.initials: R
authors.lastname: Shanker
mesh_terms: D000327:Adsorption; D001665:Binding Sites; D003198:Computer Simulation; D037741:Fullerenes / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure; D011485:Protein Binding; D011487:Protein Conformation; D025941:Protein Interaction Mapping / Q000379:methods*
chemical_list: D037741:Fullerenes