Biology Department, University of Evansville, Evansville, IN 47722, USA.
Department of Pharmaceutical Sciences and Experimental Therapeutics, University of Iowa, Iowa City, IA 42232, USA.
Int J Mol Sci. 2023 Feb 2;24(3):2879. doi: 10.3390/ijms24032879.
Fluoroquinolones are an important class of antibacterials, and rising levels of resistance threaten their clinical efficacy. Gaining a more full understanding of their mechanism of action against their target enzymes-the bacterial type II topoisomerases gyrase and topoisomerase IV-may allow us to rationally design quinolone-based drugs that overcome resistance. As a step toward this goal, we investigated whether the water-metal ion bridge that has been found to mediate the major point of interaction between topoisomerase IV and topoisomerase IV and gyrase, as well as gyrase, exists in gyrase. This is the first investigation of the water-metal ion bridge and its function in a Gram-negative gyrase. Evidence suggests that the water-metal ion bridge does exist in quinolone interactions with this enzyme and, unlike the Gram-positive gyrase, does use both conserved residues (serine and acidic) as bridge anchors. Furthermore, this interaction appears to play a positioning role. These findings raise the possibility that the water-metal ion bridge is a universal point of interaction between quinolones and type II topoisomerases and that it functions primarily as a binding contact in Gram-positive species and primarily as a positioning interaction in Gram-negative species. Future studies will explore this possibility.
氟喹诺酮类是一类重要的抗菌药物,其耐药水平的上升威胁着它们的临床疗效。更全面地了解它们对靶酶——细菌 II 型拓扑异构酶回旋酶和拓扑异构酶 IV——的作用机制,可能使我们能够合理设计克服耐药性的基于喹诺酮的药物。作为实现这一目标的一步,我们研究了在回旋酶中是否存在已发现介导拓扑异构酶 IV 与回旋酶以及回旋酶之间主要相互作用点的水-金属离子桥。这是首次对革兰氏阴性回旋酶中的水-金属离子桥及其功能进行调查。有证据表明,水-金属离子桥确实存在于与该酶的喹诺酮相互作用中,并且与革兰氏阳性回旋酶不同,它既作为桥接锚点使用保守残基(丝氨酸和酸性)。此外,这种相互作用似乎起着定位作用。这些发现提出了一种可能性,即水-金属离子桥是喹诺酮与 II 型拓扑异构酶之间的普遍相互作用点,并且在革兰氏阳性物种中主要作为结合接触,在革兰氏阴性物种中主要作为定位相互作用。未来的研究将探讨这种可能性。