Department of Chemistry, Faculty of Science, Atatürk University, Erzurum, 25240, Turkey.
Department of Food Processing, Oltu Vocational School, Atatürk University, Erzurum, 25400, Turkey.
Future Med Chem. 2021 Aug;13(15):1285-1299. doi: 10.4155/fmc-2020-0387. Epub 2021 Jun 2.
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.
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。