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一些抗生素对牛初乳中乳过氧化物酶的分子对接和抑制特性。

Molecular docking and inhibition profiles of some antibiotics on lactoperoxidase enzyme purified from bovine milk.

机构信息

Department of Basic Science, Faculty of Science, Erzurum Technical University, Erzurum, Turkey.

Department of Chemistry, Faculty of Engineering and Natural Sciences, İstanbul Medeniyet University, İstanbul, Turkey.

出版信息

J Biomol Struct Dyn. 2022 Jan;40(1):401-410. doi: 10.1080/07391102.2020.1814416. Epub 2020 Aug 28.

DOI:10.1080/07391102.2020.1814416
PMID:32856529
Abstract

Antibiotics are generally used for human and veterinary applications to preserve and to control microbial diseases. Milk has a biologically significant enzyme known as lactoperoxidase (LPO) that is a member of peroxidase family. In metabolism, LPO has ability to catalyze the transformation of thiocyanate (SCN) to hypothiocyanite (OSCN) that is an antibacterial agent and the reaction occurs with hydrogen peroxide. In this work, LPO inhibition effects of some antibiotics including cefazolin, oxytetracycline, flunixin meglumine, cefuroxime, tylosin, vancomycin, chloramphenicol and lincomycin were tested. Among the antibiotics cefazolin was indicated the strongest inhibitory efficacy. The half maximal inhibitory concentration (IC) and the inhibition constant (K) values of cefazolin were found as 8.19 and 34.66 µM, respectively. It was shown competitive inhibition. 5-Methyl-1,3,4-thiadiazol-2-yl moiety activity plays a key role in the inhibition mechanism of cefazolin.Communicated by Ramaswamy H. Sarma.

摘要

抗生素通常用于人类和兽医应用,以保存和控制微生物疾病。牛奶中有一种具有生物学意义的酶,称为乳过氧化物酶(LPO),它是过氧化物酶家族的一员。在新陈代谢中,LPO 能够催化硫氰酸盐(SCN)向次碘酸盐(OSCN)的转化,次碘酸盐是一种抗菌剂,反应发生在过氧化氢中。在这项工作中,测试了一些抗生素对 LPO 的抑制作用,包括头孢唑林、土霉素、氟尼辛葡甲胺、头孢呋辛、泰乐菌素、万古霉素、氯霉素和林可霉素。在这些抗生素中,头孢唑林显示出最强的抑制效果。头孢唑林的半最大抑制浓度(IC)和抑制常数(K)值分别为 8.19 和 34.66 µM,表明它是一种竞争性抑制剂。5-甲基-1,3,4-噻二唑-2-基部分的活性在头孢唑林的抑制机制中起着关键作用。由 Ramaswamy H. Sarma 交流。

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