Multidrug resistance (MDR) is a major health issue for the treatment of infectious diseases throughout the world. Staphylococcus aureus (S. aureus) is a Gram-positive bacteria, responsible for various local and systemic infections in humans. The continuous and abrupt use of antibiotics against bacteria such as S. aureus results in the development of resistant strains. Presently, mupirocin (MUP) is the drug of choice against S. aureus and MDR (methicillin-resistant). However, S. aureus has acquired resistance against MUP as well due to isoleucyl-tRNA synthetase (IleS) mutation at sites 588 and 631. Thus, the aim of the present study was to discover novel bioactives against MUP-resistant S. aureus using in silico drug repurposing approaches. In silico drug repurposing techniques were used to obtain suitable bioactive lead molecules such as buclizine, tasosartan, emetine, medrysone, and so on. These lead molecules might be able to resolve this issue. These leads were obtained through molecular docking simulation based virtual screening, which could be promising for the treatment of MUP-resistant S. aureus. The findings of the present work need to be validated further through in vitro and in vivo studies for their clinical application.

中文翻译：

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开发针对莫匹罗星抗性金黄色葡萄球菌的新疗法的药物再利用方法。

多药耐药性（MDR）是全世界治疗传染病的主要健康问题。金黄色葡萄球菌（S. aureus）是革兰氏阳性细菌，负责人类的各种局部和全身感染。对细菌如金黄色葡萄球菌的连续和突然使用导致产生耐药菌株。目前，莫匹罗星（MUP）是对抗金黄色葡萄球菌和MDR（耐甲氧西林）的首选药物。然而，由于在位点588和631处的异亮氨酰-tRNA合成酶（IleS）突变，金黄色葡萄球菌也获得了对MUP的抗性。因此，本研究的目的是通过使用硅药物重用方法。在计算机模拟药物再利用技术中，已获得了合适的生物活性铅分子，例如丁克林，tasosartan，曲美汀，美德松等。这些铅分子可能能够解决此问题。这些线索是通过基于分子对接模拟的虚拟筛选获得的，对于治疗耐MUP的金黄色葡萄球菌可能很有希望。当前工作的发现需要通过体外和体内研究对其临床应用进行进一步验证。