STM Article Repository

Alharbi, Ahmed and Alshammari, Waleed Mansi and Alreshidi, Turki A. K. (2020) Discovery of Carbonic Anhydrase Inhibitors through Molecular Docking as Novel Anticancer Agents. Journal of Pharmaceutical Research International, 32 (29). pp. 84-91. ISSN 2456-9119

[thumbnail of Alharbi32292020JPRI61677.pdf] Text
Alharbi32292020JPRI61677.pdf - Published Version

Download (423kB)

Abstract

The cancer is the world's most silent and life-threatening diseases, which may arise in most common people without any indication at any age and result in uncontrolled growth and metastasis. In the current manuscript, we targeted the discovery of novel carbonic anhydrase IX inhibitors. The discovery is based on computational techniques based on direct and indirect drug design. We screened nearly 500000 compounds from the zinc database to identify the top 1000 compounds with indirect drug design techniques while the top 200 were docked for the interactions and scoring functions. The top 12 out of these were reported in the manuscript, which showed higher binding scores than the standard compounds with selectivity based on interaction. These leads may be the future drugs for anticancer agents through carbonic anhydrase inhibitors.

Item Type: Article
Subjects: GO for ARCHIVE > Medical Science
Depositing User: Unnamed user with email support@goforarchive.com
Date Deposited: 07 Apr 2023 06:43
Last Modified: 10 Jan 2024 04:13
URI: http://eprints.go4mailburst.com/id/eprint/449

Actions (login required)

View Item
View Item