Letters in Drug Design & Discovery

G. Perry
University of Texas
San Antonio, TX
Email: lddd@benthamscience.org


Ligand Based 3D-QSAR Study on a Series of Steroidal Human 5α-Reductase Inhibitors

Author(s): Saurabh Aggarwal, Suresh Thareja, T.R. Bhardwaj, Manoj Kumar.


Azasteroids constitute a class of modified steroids in which one or more carbon atoms in the steroid ring system have been substituted with nitrogen atom, having human 5α-reductase inhibitory activities for the management of benign prostatic hyperplasia (BPH). We have performed ligand based 3D-QSAR study using Self Organizing Molecular Field Analysis (SOMFA) on a series of 4-azasteroids including clinically used drug Finasteride. The SOMFA studies results indicate significant q2 (0.809), r2 (0.834) and F-test (70.060) values showing good predictive ability. The analysis of SOMFA grids provides an insight for generation of optimal molecular architecture for better human 5α-reductase inhibitory activity.

Keywords: 4-Azasteroids, BPH, Finasteride, 3D-QSAR, 5α-Reductase, SOMFA

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Article Details

Year: 2010
Page: [596 - 601]
Pages: 6
DOI: 10.2174/157018010792062795
Price: $58