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Synthesis Urease Inhibition Antioxidant Antibacterial and Molecular Docking Studies of 134-Oxadiazole Derivatives

机译:134-恶二唑衍生物的合成脲酶抑制抗氧化抗菌和分子对接研究

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摘要

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.
机译:通过在乙醇氢氧化钾中用二硫化碳处理芳族酰肼,合成了18种1,3,4-恶二唑衍生物,得到1,3,4-恶二唑的钾盐。用1 N盐酸中和后,得到1,3,4-恶二唑的粗晶体,将其通过在沸腾的甲醇中重结晶纯化。体外评估了合成的1,3,4-恶二唑衍生物的脲酶抑制活性,大多数研究的化合物是强力豆腐脲酶的抑制剂。通过将分子对接到杰克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方式。还测试了合成的化合物的抗菌和抗氧化活性,一些衍生物显示出非常有希望的结果。

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