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4-羟基-2-氧代-1,2-二氢喹啉-3-碳酰肼衍生物作为抗HIV-1和抗菌剂的设计、合成、对接研究及生物学评价

Design, Synthesis, Docking Study, and Biological Evaluation of 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide Derivatives as Anti-HIV-1 and Antibacterial Agents.

作者信息

Abdollahi Omid, Mahboubi Arash, Hajimahdi Zahra, Zarghi Afshin

机构信息

Department of Pharmaceutical Chemistry, School of Pharmacy, Shahid Beheshti University of Medical Sciences, Tehran, Iran.

Department of Pharmaceutics and Pharmaceutical Nanotechnology, School of Pharmacy, Shahid Beheshti University of Medical Sciences, Tehran, Iran.

出版信息

Iran J Pharm Res. 2022 May 4;21(1):e126562. doi: 10.5812/ijpr-126562. eCollection 2022 Dec.

Abstract

BACKGROUND

The emergence of drug resistance to the existing antibacterial and anti-HIV-1 therapeutics has posed an urgent medical need to develop new molecules. We describe in this regard, a series of novel N'-arylidene-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide derivatives with anti-HIV-1 and antibacterial activities were designed and synthesized in this study.

METHODS

The synthesized compounds were evaluated for the blocking of both the IN ST process and cell-based HIV-1 replication. The synthesized compounds were also examined for in vitro antibacterial activities using the minimum inhibitory concentration (MIC) assay.

RESULTS

The results revealed the moderate antibacterial activity of the synthesized compounds. Moreover, no significant integrase inhibitory and anti-HIV-1 activities were observed for the synthesized compounds at concentrations < 100 µM.

CONCLUSIONS

According to the docking analyses, the orientation of the designed scaffold in the active site of integrase is similar to the other inhibitors of the HIV integrase and can be regarded as an acceptable template for further structural modification to improve potencies.

摘要

背景

现有抗菌和抗HIV-1疗法出现耐药性,迫切需要开发新分子。在这方面,我们描述了本研究设计并合成的一系列具有抗HIV-1和抗菌活性的新型N'-亚芳基-4-羟基-2-氧代-1,2-二氢喹啉-3-碳酰肼衍生物。

方法

评估合成化合物对整合酶链转移(IN ST)过程和基于细胞的HIV-1复制的阻断作用。还使用最低抑菌浓度(MIC)测定法检测合成化合物的体外抗菌活性。

结果

结果显示合成化合物具有中等抗菌活性。此外,在浓度<100 μM时,未观察到合成化合物具有显著的整合酶抑制和抗HIV-1活性。

结论

根据对接分析,设计支架在整合酶活性位点的取向与HIV整合酶的其他抑制剂相似,可被视为进一步结构修饰以提高效力的可接受模板。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/95c4/9420229/ac21485c616a/ijpr-21-1-126562-g001.jpg

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