Discovery of Carbonic Anhydrase Inhibitors through Molecular Docking as Novel Anticancer Agents

Main Article Content

Ahmed Alharbi
Waleed Mansi Alshammari
Turki A. K. Alreshidi

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.

Keywords:
Cancer, carbonic anhydrase inhibitors, virtual screening.

Article Details

How to Cite
Alharbi, A., Alshammari, W. M., & Alreshidi, T. A. K. (2020). Discovery of Carbonic Anhydrase Inhibitors through Molecular Docking as Novel Anticancer Agents. Journal of Pharmaceutical Research International, 32(29), 84-91. https://doi.org/10.9734/jpri/2020/v32i2930886
Section
Original Research Article

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