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1,3,4-恶二唑衍生物的合成、脲酶抑制、抗氧化、抗菌及分子对接研究

Synthesis, urease inhibition, antioxidant, antibacterial, and molecular docking studies of 1,3,4-oxadiazole derivatives.

作者信息

Hanif Muhammad, Shoaib Khurram, Saleem Muhammad, Hasan Rama Nasim, Zaib Sumera, Iqbal Jamshed

机构信息

Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan.

出版信息

ISRN Pharmacol. 2012;2012:928901. doi: 10.5402/2012/928901. Epub 2012 Aug 13.

Abstract

A series of eighteen 1,3,4-oxadiazole derivatives have been synthesized by treating aromatic acid hydrazides with carbon disulfide in ethanolic potassium hydroxide yielding potassium salts of 1,3,4-oxadiazoles. Upon neutralization with 1 N hydrochloric acid yielded crude crystals of 1,3,4-oxadiazoles, which were purified by recrystallization in boiling methanol. The synthesized 1,3,4-oxadiazoles derivatives were evaluated in vitro for their urease inhibitory activities, most of the investigated compounds were potent inhibitors of Jack bean urease. The molecular docking studies were performed by docking them into the crystal structure of Jack bean urease to observe the mode of interaction of synthesized compounds. The synthesized compounds were also tested for antibacterial and antioxidant activities and some derivatives exhibited very promising results.

摘要

通过在乙醇氢氧化钾中用二硫化碳处理芳香酰肼,合成了一系列十八种1,3,4-恶二唑衍生物,得到1,3,4-恶二唑的钾盐。用1N盐酸中和后得到1,3,4-恶二唑的粗晶体,通过在沸腾甲醇中重结晶进行纯化。对合成的1,3,4-恶二唑衍生物进行了体外脲酶抑制活性评估,大多数研究化合物是刀豆脲酶的有效抑制剂。通过将它们对接至刀豆脲酶的晶体结构中进行分子对接研究,以观察合成化合物的相互作用模式。还对合成化合物进行了抗菌和抗氧化活性测试,一些衍生物表现出非常有前景的结果。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5fe4/3425833/8b15a99b3e6b/ISRN.PHARMACOLOGY2012-928901.003.jpg

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