David Stephen, A (2022) Sulfamethoxazole: Molecular docking and crystal structure prediction. Results in Chemistry, 5. pp. 1-9. ISSN 2211-7156

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Abstract

The conformational stability of sulfonamide derivatives was examined in the active site of the Dihydropteroate
synthase enzyme. The best-docked conformer was identified via the molecular docking approach. Possible stable
packing of best-docked conformer was predicted and evaluated from the intermolecular interactions. Further, the
interactions of stable conformers with the active site residue were characterized by charge density analysis based
on Bader’s Quantum Theory of Atoms in Molecules.

Item Type: Article
Uncontrolled Keywords: Sulfamethoxazole Molecular docking Crystal structure prediction
Divisions: PSG College of Arts and Science > Department of Physics
Depositing User: Mr Team Mosys
Date Deposited: 11 Mar 2023 07:23
Last Modified: 11 Mar 2023 07:23
URI: http://ir.psgcas.ac.in/id/eprint/1761

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