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甾体噻唑并嘧啶的合成、抗真菌活性评价及分子对接研究

Synthesis, antifungal evaluation, and molecular docking studies of steroidal thiazolopyrimidines.

作者信息

Iqbal Arfeen, Khan Asna, Ahmedi Saiema, Manzoor Nikhat, Siddiqui Tabassum

机构信息

Department of Chemistry, Aligarh Muslim University, Aligarh 202 002, UP, India.

Department of Biosciences, Jamia Millia Islamia, New Delhi 110025, India.

出版信息

Steroids. 2023 May;193:109186. doi: 10.1016/j.steroids.2023.109186. Epub 2023 Feb 2.

Abstract

A series of steroidal thiazolopyrimidine derivatives were developed and evaluated for their antifungal properties against Candida species using steroid as the basic skeletonand a thiazolopyrimidine heterocycle as a pharmacophore in the D-ring. Dehydroepiandrosterone, aromatic aldehydes, and 2-aminothiazole were used in a one-pot multicomponent reaction with silica sulphuric acid to generate the target molecules. Additionally, molecular docking studies were conducted to determine how synthesized steroidal derivatives interacted with the amino acid residues of CYP51 ofCandida albicans.

摘要

以甾体为基本骨架,噻唑并嘧啶杂环作为D环中的药效基团,开发并评估了一系列甾体噻唑并嘧啶衍生物对念珠菌属的抗真菌特性。使用脱氢表雄酮、芳香醛和2-氨基噻唑与硅胶硫酸进行一锅多组分反应以生成目标分子。此外,还进行了分子对接研究,以确定合成的甾体衍生物如何与白色念珠菌CYP51的氨基酸残基相互作用。

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