David Stephen, A (2020) Docking and Molecular Dynamic Simulation of Temozolomide with Carbonic Anhydrase XIII. Asian Journal of Organic & Medicinal Chemistry, 5 (4). pp. 332-339. ISSN 2456-8937

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Abstract

The effect of inhibition of temozolomide, an alkylating agent widely used in cancer treatments, with carbonic anhydrase XIII protein was investigated using docking studies. The stability of temozolomide in the protein environment was assessed and analyzed by molecular dynamics simulation. The topological and charge density variations of temozolomide were studied in detail to perceive the primary insight of the pharmaceutical actions.

Item Type: Article
Uncontrolled Keywords: Temozolomide, Docking, Carbonic anhydrase XIII, Binding energy
Divisions: PSG College of Arts and Science > Department of Physics
Depositing User: Mr Team Mosys
Date Deposited: 21 Jun 2022 05:35
Last Modified: 21 Jun 2022 05:35
URI: http://ir.psgcas.ac.in/id/eprint/1228

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