Structure based design and evaluation of benzoheterocycle derivatives as potential dual HIV-1 protease and reverse transcriptase inhibitors

被引：3

作者：

Zhu, Mei ^{[1
]}

Shan, Qi ^{[2
]}

Ma, Ling ^{[1
]}

Dong, Biao ^{[1
]}

Wang, Juxian ^{[1
]}

Zhang, Guoning ^{[1
]}

Wang, Minghua ^{[1
]}

Zhou, Jinming ^{[3
]}

Cen, Shan ^{[1
]}

Wang, Yucheng ^{[1
]}

机构：

[1] Chinese Acad Med Sci & Peking Union Med Coll, Inst Med Biotechnol, Beijing 100050, Peoples R China

[2] Tianjin Inst Pharmaceut Res, Tianjin 300462, Peoples R China

[3] Zhejiang Normal Univ, Dept Chem, Key Lab, Minist Educ Adv Catalysis Mat, Jinhua 321004, Peoples R China

来源：

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | 2023年 / 246卷

基金：

中国国家自然科学基金;

关键词：

HIV-1 dual inhibitor; Protease; Reverse transcriptase; Benzofuran; Indole; Multidrug resistance; Molecular dynamic simulation studies; DIKETO ACID-DERIVATIVES; COUMARIN DERIVATIVES; MULTIPLE LIGANDS; INTEGRASE; OPPORTUNITIES; CHALLENGES; STRATEGIES; THERAPY;

D O I：

10.1016/j.ejmech.2022.114981

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The development of dual inhibitors of HIV-1 protease and reverse transcriptase is an attractive strategy for multitarget therapeutic of AIDS, which may be privileged in delaying the occurrence of drug resistance. We herein designed a novel kind of dual inhibitors with benzofuran or indole cores. Biological results showed that a number of inhibitors displayed significant activity against both HIV-1 protease and reverse transcriptase. Among which, inhibitor 10f exhibited a good correlation with an approximate ratio of 1: 2 between the two enzymes. Furthermore, the dual inhibitors illustrated similar potency against both the wild-type virus and drug-resistant mutant. In addition, the molecular dynamic simulation studies verified the dual actions of such inhibitors.

引用

页数：19

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