Repurposing of World-Approved Drugs for Potential Inhibition against Human Carbonic Anhydrase I: A Computational Study

Repurposing of World-Approved Drugs for Potential Inhibition against Human Carbonic Anhydrase I: A Computational Study

Human carbonic anhydrases (hCAs) have enzymatic activities for reversible hydration of CO<sub>2</sub> and are acknowledged as promising targets for the treatment of various diseases. Using molecular docking and molecular dynamics simulation approaches, we hit three compounds of methyl 4-...

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Bibliographic Details
Main Authors: Nannan Zheng, Wanyun Jiang, Puyu Zhang, Le Ma, Junzhao Chen, Haiyang Zhang
Format: Article
Language:English
Published: MDPI AG 2023-08-01
Series:International Journal of Molecular Sciences
Subjects:
receptor-ligand interaction
metallo-enzymes
drug repurposing
molecular simulation
Online Access:https://www.mdpi.com/1422-0067/24/16/12619

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