通过机理 QSAR 建模、虚拟筛选、药物再利用、ADMET 和体外评价，确定赖氨酸特异性去甲基化酶 5a 抑制剂为抗癌先导药物

Journal of Biomolecular Structure and Dynamics Pub Date : 2024-02-22 DOI:10.1080/07391102.2024.2319104

Rahul D. Jawarkar, Magdi E. A. Zaki, Sami A. Al-Hussain, Aamal A. Al-Mutairi, Abdul Samad, Vijay Masand, Vivek Humane, Suraj Mali, Abdullah Yahya Abdullah Alzahrani, Summya Rashid, Gehan M. Elossaily

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摘要

赖氨酸特异性去甲基化酶是一种选择性消除赖氨酸残基中甲基的酶。KDM5A 又称 JARID1A 或 RBP2，属于 KDM5 Jumonji 组蛋白去甲基化酶亚基。

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Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in-vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor

A lysine-specific demethylase is an enzyme that selectively eliminates methyl groups from lysine residues. KDM5A, also known as JARID1A or RBP2, belongs to the KDM5 Jumonji histone demethylase subf...

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Journal of Biomolecular Structure and Dynamics

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