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芳基脲-三唑基衍生物的合成、评价及分子对接研究作为脲酶抑制剂。

Synthesis, evaluation, and molecular docking studies of aryl urea-triazole-based derivatives as anti-urease agents.

机构信息

The Institute of Pharmaceutical Sciences (TIPS), Tehran University of Medical Sciences, Tehran, Iran.

Drug Design and Development Research Center, The Institute of Pharmaceutical Sciences (TIPS), Tehran University of Medical Sciences, Tehran, Iran.

出版信息

Arch Pharm (Weinheim). 2018 Jul;351(7):e1800005. doi: 10.1002/ardp.201800005. Epub 2018 May 24.

DOI:10.1002/ardp.201800005
PMID:29797597
Abstract

Considering the importance of urease inhibitors in the treatment of ureolytic bacterial infections, in this work, the synthesis of novel, aryl urea-triazole-based derivatives as effective urease inhibitors is described. Dichloro-substituted derivative 4o, with IC  = 22.81 ± 0.05 μM, is found to be the most potent urease inhibitor, determined by Berthelot colorimetric assay. Docking studies were also carried out for compound 4o to confirm the effective interactions with the urease active site.

摘要

鉴于脲酶抑制剂在治疗解脲细菌感染中的重要性，本工作描述了新型芳基脲-三唑类衍生物的合成，这些衍生物是有效的脲酶抑制剂。通过 Berthelot 比色法测定，二氯取代衍生物 4o 的 IC  = 22.81 ± 0.05 μM，被发现是最有效的脲酶抑制剂。还对化合物 4o 进行了对接研究，以确认其与脲酶活性位点的有效相互作用。

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