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噻唑烷二酮和噻唑衍生物增强了诺氟沙星对金黄色葡萄球菌 1199B 株中 NorA 外排泵过表达的活性。

Thiazolidinedione and thiazole derivatives potentiate norfloxacin activity against NorA efflux pump over expression in Staphylococcus aureus 1199B strains.

机构信息

Departamento de Antibióticos, Universidade Federal de Pernambuco (UFPE), Av. Prof. Artur de Sá, s/n, Cidade Universitária, Recife, PE 54740-520, Brazil.

Departamento de Antibióticos, Universidade Federal de Pernambuco (UFPE), Av. Prof. Artur de Sá, s/n, Cidade Universitária, Recife, PE 54740-520, Brazil.

出版信息

Bioorg Med Chem. 2019 Sep 1;27(17):3797-3804. doi: 10.1016/j.bmc.2019.07.006. Epub 2019 Jul 4.

Abstract

Thiazol and thiazolidinedione derivatives are known in the literature for presenting several biological activities, such as anti-diabetic, anti-inflammatory, antiparasitic, antifungal and antimicrobial activity. With this in mind, this study reports on the synthesis and antibacterial activity of thiazole (NJ) and thiazolidinedione (NW) derivatives, as well as their effects in association with norfloxacin, against NorA efflux pumps in the Staphylococcus aureus 1199B (SA-1199B) strain. Among the 14 compounds evaluated, 9 were found to potentiate norfloxacin activity, with 4 compounds from the NJ series promoting a threefold norfloxacin MIC reduction. Molecular docking assays were used to confirm the binding mode of most active compounds. In the in silico study, the efficiency of the interaction of NJ series compounds with the NorA pump were evaluated. Derivatives from both series did not show considerable intrinsic antibacterial activity (MIC > 1024 μg/mL) against any of the tested strains. However, the NJ16 and NJ17 compounds, when associated with norfloxacin, reduced the MIC of this drug threefold and inhibited NorA pumps in the 1199B strain. Moreover, some NW (05, 10, 18, 19 and 21) and NJ compounds (16, 17, 18 and 20) presented low to moderate cytotoxicity against normal cells. Molecular docking studies supported the potent in vitro inhibitory activity of NJ16 and NJ17, which showed NJ16 and NJ17 possessed more favorable binding energies of -9.03 Kcal/mol and -9.34 Kcal/mol, respectively. In addition, NJ16 showed different types of interactions involved in complex stabilization. In conclusion, NJ16 and NJ17, in combination with norfloxacin, were able to completely restore the antibacterial activity of norfloxacin against S. aureus SA-1199B, the norA-overexpressing strain, with low cytotoxicity in normal cells.

摘要

噻唑和噻唑烷二酮衍生物在文献中已知具有多种生物活性,如抗糖尿病、抗炎、抗寄生虫、抗真菌和抗菌活性。考虑到这一点,本研究报告了噻唑(NJ)和噻唑烷二酮(NW)衍生物的合成及其抗菌活性,以及它们与诺氟沙星联合对抗金黄色葡萄球菌 1199B(SA-1199B)菌株中 NorA 外排泵的作用。在所评价的 14 种化合物中,有 9 种化合物增强了诺氟沙星的活性,其中 NJ 系列的 4 种化合物使诺氟沙星的 MIC 降低了三倍。分子对接试验用于确认最活跃化合物的结合模式。在计算机模拟研究中,评估了 NJ 系列化合物与 NorA 泵相互作用的效率。两个系列的衍生物对任何测试菌株均没有表现出相当大的固有抗菌活性(MIC > 1024 µg/mL)。然而,当与诺氟沙星联合使用时,NJ16 和 NJ17 化合物使该药物的 MIC 降低了三倍,并抑制了 1199B 菌株中的 NorA 泵。此外,一些 NW(05、10、18、19 和 21)和 NJ 化合物(16、17、18 和 20)对正常细胞表现出低至中度的细胞毒性。分子对接研究支持了 NJ16 和 NJ17 的体外抑制活性,表明 NJ16 和 NJ17 具有更有利的结合能,分别为-9.03 Kcal/mol 和-9.34 Kcal/mol。此外,NJ16 表现出不同类型的相互作用,参与了复合物的稳定。综上所述,NJ16 和 NJ17 与诺氟沙星联合使用,能够完全恢复诺氟沙星对金黄色葡萄球菌 SA-1199B(norA 过表达株)的抗菌活性,对正常细胞的细胞毒性较低。

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