Ontology highlight
ABSTRACT:
SUBMITTER: Entezari Heravi Y
PROVIDER: S-EPMC6009914 | biostudies-literature | 2017 Dec
REPOSITORIES: biostudies-literature
Entezari Heravi Yeganeh Y Sereshti Hassan H Saboury Ali Akbar AA Ghasemi Jahan J Amirmostofian Marzieh M Supuran Claudiu T CT
Journal of enzyme inhibition and medicinal chemistry 20171201 1
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 to screen the ZINC database of commercially available derivatives. The datasets were divided into training, test, and validation sets. As the first step, comparative molecular field analysis (CoMFA), ...[more]