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叠氮磺酰基氨基甲酸酯衍生物的抗菌性质和碳酸酐酶抑制特性。

Antibacterial properties and carbonic anhydrase inhibition profiles of azido sulfonyl carbamate derivatives.

机构信息

Department of Chemistry, Faculty of Science, Atatürk University, Erzurum, 25240, Turkey.

Department of Food Processing, Oltu Vocational School, Atatürk University, Erzurum, 25400, Turkey.

出版信息

Future Med Chem. 2021 Aug;13(15):1285-1299. doi: 10.4155/fmc-2020-0387. Epub 2021 Jun 2.

Abstract

The aim of this study was to identify inhibition of carbonic anhydrase I and II (CA I and II) isozymes by azido sulfonyl carbamates through both and approaches and also to determine the drug-likeness properties and antibacterial activities of azido sulfonyl carbamates. inhibition and molecular docking studies of azido sulfonyl carbamate derivatives () on isozymes were performed. Except for derivative , all derivatives inhibited human CA I and II. Almost all compounds had antibacterial effects. The docking results showed that compound had the best results, with binding energy of -8.20 kcal/mol for human CA I and -8.24 kcal/mol for human CA II. Molecule inhibited only CA I. Its usage as a potential chemotherapeutic agent specific to the CA I isozyme may be considered.

摘要

本研究旨在通过 和 方法研究叠氮磺酰基氨基甲酸酯对碳酸酐酶 I 和 II(CA I 和 II)同工酶的抑制作用,并确定叠氮磺酰基氨基甲酸酯的类药性和抗菌活性。对叠氮磺酰基氨基甲酸酯衍生物()对同工酶的 抑制和分子对接研究进行了研究。除了衍生物 之外,所有衍生物均抑制了人 CA I 和 CA II。几乎所有化合物都具有抗菌作用。对接结果表明,化合物 具有最佳效果,其对人 CA I 的结合能为-8.20 kcal/mol,对人 CA II 的结合能为-8.24 kcal/mol。分子 仅抑制 CA I。可以考虑将其作为针对 CA I 同工酶的潜在化疗药物使用。

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