Document Report Card

ID: ALA1781960

Journal: J Med Chem

Title: Discovery of non-glycoside sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors by ligand-based virtual screening.

Authors: Wu JS, Peng YH, Wu JM, Hsieh CJ, Wu SH, Coumar MS, Song JS, Lee JC, Tsai CH, Chen CT, Liu YW, Chao YS, Wu SY.

Abstract: A ligand-based virtual screening strategy (a combination of pharmacophore model generation, shape-based scoring, and structure clustering analysis) was developed to discover novel SGLT2 inhibitors. The best pharmacophore model, generated from eight glycoside inhibitors, was utilized to virtually screen three chemical databases that led to the identification of three non-glycoside SGLT2 inhibitors. This is the first report of the generation of a pharmacophore model from glycosides that has then been used to discover novel non-glycosides hits.

CiteXplore: 21090651

DOI: 10.1021/jm101080v