AbstractStaphylococcus aureus is one of the most common nosocomial biofilm-forming pathogens worldwide that has developed resistance mechanisms against majority of the antibiotics. Therefore, the search of novel antistaphylococcal agents with unexploited mechanisms of action, especially with antibiofilm activity, is of great interest.

摘要金黄色葡萄球菌（Staphylococcus aureus）是全球最常见的医院生物膜形成病原体之一，已对大多数抗生素产生耐药机制。因此，寻找具有未开发作用机制，特别是具有抗生物膜活性的新型抗葡萄球菌药物是非常有意义的。

Seryl-tRNA synthetase is recognized as a promising drug target for the development of antibacterials. We have carried out molecular docking of compounds with antistaphycoccal activity, which were earlier found by us using phenotypic screening, into synthetic site of S. aureus SerRS and found seven hit compounds with low inhibitory activity.

Seryl-tRNA合成酶被认为是开发抗菌药物的有希望的药物靶标。我们已经将我们早期使用表型筛选发现的具有抗链球菌活性的化合物分子对接到金黄色葡萄球菌SerRS的合成位点，发现了七种具有低抑制活性的命中化合物。

Further, we have performed search of S. aureus SerRS inhibitors among compounds which were previously tested by us for inhibitory activity toward S. aureus ThrRS, that belong to the same class of aminoacyl-tRNA synthetases. Among them six hits were identified. We have selected four compounds for antibacterial study and found that the most active compound 1-methyl-3-(1H-imidazol-1-methyl-2-yl)-5-nitro-1H-indazole has MIC values toward S.

此外，我们已经在我们先前测试的化合物中搜索了金黄色葡萄球菌SerRS抑制剂，这些化合物对金黄色葡萄球菌THRR具有抑制活性，这些化合物属于同一类氨酰基-tRNA合成酶。其中确定了六个命中。我们选择了四种化合物进行抗菌研究，发现最活跃的化合物1-甲基-3-（1H-咪唑-1-甲基-2-基）-5-硝基-1H-吲唑对S具有MIC值。

aureus multidrug-resistant clinical isolates ranging from 78.12 to 156.2 µg/ml. However, this compound precipitated during anti-biofilm study. Therefore, we used 3-[N’-(2-hydroxy-3-methoxybenzylidene)hydrazino]-6-methyl-4H-[1,2,4]triazin-5-one with better solubility (ClogS value = 2.9) among investigated compounds toward SerRS for anti-biofilm study.

金黄色葡萄球菌多药耐药临床分离株的范围为78.12至156.2µg/ml。然而，该化合物在抗生物膜研究期间沉淀。因此，我们使用了3-[N'-（2-羟基-3-甲氧基亚苄基）肼基]-6-甲基-4H-[1,2,4]三嗪-5-酮，具有更好的溶解度（ClogS值=2.9），用于抗生物膜研究。

It was found that this compound has a significant inhibitory effect on the growth of planktonic and biofilm culture of S. aureus 25923 with MIC value of 32 µg ml−1. At the same time, this compound does not reveal antibacterial activity toward Esherichia coli ATCC 47076. Therefore, this compound can be proposed as effective a.

发现该化合物对金黄色葡萄球菌25923的浮游和生物膜培养物的生长具有显着的抑制作用，MIC值为32μg·ml-1。同时，该化合物对大肠杆菌ATCC 47076没有抗菌活性。因此，该化合物可以被认为是有效的a。

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EUCAST Guidelines for Detection of Resistance Mechanisms and Specific Resistances of Clinical and/or Epidemiological Importance, Version 1.0, December 2013. EUCAST; Växjö, Sweden: 2013.Download referencesAcknowledgementsThis work was supported by the NAS of the Ukraine grant № 0120U000079.

EUCAST临床和/或流行病学重要性耐药机制和特异性耐药检测指南，版本1.02013年12月。EUCAST；瑞典Växjö：2013。下载参考文献致谢这项工作得到了乌克兰国家科学院拨款第0120U000079号的支持。

The authors are thankful to Prof. David Roper (School of Life Sciences, University of Warwick, United Kingdom) for the gift of plasmid encoding S. aureus SerRS.Author informationAuthors and AffiliationsDepartment of Medicinal Chemistry, Institute of Molecular Biology and Genetics, the NAS of Ukraine, 150 Zabolotnogo St., Kyiv, 03143, UkraineGalyna P.

作者感谢David Roper教授（英国华威大学生命科学学院）赠送编码金黄色葡萄球菌SerRS的质粒。作者信息作者和附属机构乌克兰国家科学院分子生物学与遗传学研究所药物化学系，基辅Zabolotnogo St.，03143，UkraineGalyna P。

Volynets, Anatoliy O. Balanda, Oleksiy V. Borovykov, Andrii O. Prykhod’ko, Sergiy S. Lukashov, Taras H. Maiula, Larysa V. Pletnova & Sergiy M. YarmolukDepartment of Functional Genomics, Institute of Molecular Biology and Genetics, the NAS of Ukraine, 150 Zabolotnogo St., Kyiv, 03143, UkraineOlga S. IunginDepartment of Protein Synthesis Enzymology, Institute of Molecular Biology and Genetics, the NAS of Ukraine, 150 Zabolotnogo St., Kyiv, 03143, UkraineOlga I.

Volynets，Anatoliy O.Balanda，Oleksiy V.Borovykov，Andrii O.Prykhod'ko，Sergiy S.Lukashov，Taras H.Maiula，Larysa V.Pletnova＆Sergiy M.Yarmoluk乌克兰国家科学院分子生物学与遗传学研究所功能基因组学系，乌克兰国家科学院，基辅扎博洛特诺戈街150号，03143，乌克兰国家科学院分子生物学与遗传学研究所蛋白质合成酶学系，乌克兰国家科学院，基辅扎博洛特诺戈街150号，03143，乌克兰国家科学院。

Gudzera & Michael A. TukaloLaboratory of Medical Microbiology with the Museum of Human Pathogenic Microorganisms, L.V. Gromashevsky Institute of Epidemiology and Infectious Diseases NAMS of Ukraine, 5 Amosova St., Kyiv, 03038, UkraineHanna V. VyshniakovaDepartment of Microbiology and Immunology, University of Texas Medical Branch, 301 University Blvd., Galveston, TX, 77555, USAMariia Yu.

Gudzera＆Michael A.TukaloLaboratory of Medical Microbiology with the Museum of Human病原微生物，L.V.Gromashevsky Institute of Epidemiology and Infectious Diseases NAMS of Ukraine，基辅阿莫索瓦街5号，03038，UkraineHanna V.VyshniakovaDepartment of Microbiology and Immunology，德克萨斯大学医学院，301 University Blvd.，Galveston，TX，77555，USAMaria Yu。

RybakBiofilm study group, Institute of Molecular Biology and Genetics, the NAS of Ukraine, 150 Zabolotnogo St., Kyiv, 03143, UkraineOlena V. MoshynetsResearch and Development Department, Scientific Services Company Otava Ltd, 150 Zabolotnogo St., Kyiv, 03143, UkraineAndrii O. Prykhod’.

乌克兰国家科学院分子生物学和遗传学研究所RybakBiofilm研究小组，基辅Zabolotnogo街150号，03143，乌克兰国家科学院诉Moshynets研究与发展部，科学服务公司Otava Ltd，基辅Zabolotnogo街150号，03143，乌克兰国家科学院O.Prykhod。

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et al. Identification of novel antistaphylococcal hit compounds..

等。新型抗葡萄球菌命中化合物的鉴定。。

J Antibiot (2024). https://doi.org/10.1038/s41429-024-00752-0Download citationReceived: 18 March 2024Revised: 22 May 2024Accepted: 27 May 2024Published: 25 June 2024DOI: https://doi.org/10.1038/s41429-024-00752-0Share this articleAnyone you share the following link with will be able to read this content:Get shareable linkSorry, a shareable link is not currently available for this article.Copy to clipboard.

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