3D QSAR studies, pharmacophore modeling, and virtual screening of diarylpyrazole–benzenesulfonamide derivatives as a template to obtain new inhibitors, using human carbonic anhydrase II as a model protein

A 3D-QSAR modeling was performed on a series of diarylpyrazole-benzenesulfonamide derivatives acting as inhibitors of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1). The compounds were collected from two datasets with the same scaffold, and utilized as a template for a new pharmacophore model...

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Bibliographic Details

Published in:	Journal of Enzyme Inhibition and Medicinal Chemistry
Main Authors:	Yeganeh Entezari Heravi, Hassan Sereshti, Ali Akbar Saboury, Jahan Ghasemi, Marzieh Amirmostofian, Claudiu T. Supuran
Format:	Article
Language:	English
Published:	Taylor & Francis Group 2017-01-01
Subjects:	Carbonic anhydrase isoform II molecular docking pharmacophore sulfonamide virtual screening
Online Access:	http://dx.doi.org/10.1080/14756366.2016.1241781