Synthesis, in vitro urease inhibitory potential and molecular docking study of thiazolidine-4-one derivatives

IF 2.218 Q2 Chemistry

Chemical Data Collections Pub Date : 2023-11-30 DOI:10.1016/j.cdc.2023.101103

Hayat Ullah , Fahad Khan , Fazal Rahim

引用次数: 0

Abstract

Thiazolidin-4-one sixteen analogues (1–16) were synthesized, characterized and tested against urease inhibitory potential. All synthesized analogues showed varied degrees of IC₅₀ values from excellent to good potency as compared to standard thiourea. Analogues 8, 7 and 5 were the most potent analogue with IC₅₀ values 1.10 ± 0.20, 2.30 ± 0.30 and 4.50 ± 0.10 µM respectively among the series. These analogues showed many folds better potency as compared to standard thiourea. All other analogues also showed excellent potency which was many folds better than standard thiourea. Structure-activity relationship was established and binding interactions of the most potent analogues were confirmed through molecular docking studies.

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噻唑烷-4-酮衍生物的合成、体外脲酶抑制潜能及分子对接研究

合成了噻唑烷-4- 1-16类似物(1-16)，并对其进行了表征和脲酶抑制电位测试。与标准硫脲相比，所有合成的类似物的IC50值从优异到良好不等。类似物8、7和5是最有效的类似物，IC50值分别为1.10±0.20、2.30±0.30和4.50±0.10µM。与标准硫脲相比，这些类似物的效价提高了许多倍。其他类似物均表现出优异的效价，比标准硫脲强数倍。建立了构效关系，并通过分子对接研究确定了最有效的类似物的结合相互作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Chemical Data Collections Chemistry-Chemistry (all)

CiteScore

6.10

自引率

0.00%

发文量

169

审稿时长

24 days

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