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Article

Investigating the Interaction Mechanism of CAT-BT-Br and Key Residue Mutations for Castration-Resistant Prostate Cancer through Molecular Dynamics Simulation.

The journal of physical chemistry. B - 22 May 2025

Liu Senchen, Sun Changming, Geng Jie, Wei Leyi, Su Ran

Abstract excerpt

Prostate cancer is the second most common cancer in men, second only to lung cancer. Castration-resistant prostate cancer (CRPC) was formerly known as hormone-resistant prostate cancer. The aim of this study is to reveal the effect of key residue mutations on the binding mechanism between catalase (CAT) and benzaldehyde thiourea derivatives (BT-Br), providing theoretical support for the development of novel CAT...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 40347167
DOI: 10.1021/acs.jpcb.5c02125

Genes

CAT

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