Zou Wen, Hassan Iram, Akram Bushra, Sattar Huma, Altaf Awais, Aqib Amjad Islam, Aslam Hassaan Bin, Almutairi Mikhlid H, Li Kun
MOE Joint International Research Laboratory of Animal Health and Food Safety, Institute of Traditional Chinese Veterinary Medicine, College of Veterinary Medicine, Nanjing Agricultural University, Nanjing 210095, China.
Center for Research in Molecular Medicine (CRiMM), Institute of Molecular Biology and Biotechnology (IMBB), The University of Lahore, Lahore 54590, Pakistan.
Microorganisms. 2023 Sep 29;11(10):2450. doi: 10.3390/microorganisms11102450.
This study focused on the assessment of the antimicrobial resistance of () and () isolated from bovine mastitis milk samples and the revealing anti-mastitis potential of phytocompounds of and through molecular docking analysis. The mastitis milk samples were collected from various dairy farms for the isolation of the bacteria ( and ) and their response to antibiotics. Ethanolic extracts of both plants were prepared. Their antibacterial activity was evaluated, and they were processed for phytochemical analysis after which, molecular docking analysis with pathogenic proteins of the bacteria was carried out. Parametric and non-parametric statistical analyses were performed to reach the conclusions of this study. The findings of the study revealed a higher drug resistance (≥40%) of against ampicillin, amikacin, and vancomycin, while exhibited the highest resistance to ampicillin, erythromycin, and ciprofloxacin. The ethanolic extracts of the and plants produced a ZOI between 18 and 23 mm against multidrug-resistant and . Gas chromatography-mass spectrophotometry (GC-MS) was used to explore 15 phytocompounds from and 18 phytocompounds from . The molecular docking analysis of 2cyclopenten-1-one,3,4,4 trimethyl and Bis (2ethylhexyl) phthalate of showed a binding affinity of -4.8 kcal/mol and -5.3 kcal/mol and -5.9 kcal/mol and -7.1 kcal/mol against the DNA Gyrase and toxic shock syndrome toxin-1 proteins of and , respectively. The suberic acid monomethyl ester of showed a binding affinity of -5.9 kcal/mol and -5 kcal/mol against the outer membrane protein A and Topoisomerase IV protein of and -5.1 kcal/mol and -5.8 kcal/mol against the toxic shock syndrome toxin-1 and Enterotoxin B proteins of . Similarly, 2,2,4-trimethyl-1,3-pentanediol di-iso-butyrate showed a binding affinity of -6.5 kcal/mol and -5.3 kcal/mol against the outer membrane protein A and Topoisomerase IV of and -5.2 kcal/mol and -5.9 kcal/mol against the toxic shock syndrome toxin-1 and Enterotoxin B proteins of , respectively. The study concluded that there was an increasing trend for the antimicrobial resistance of and , while the and plant extracts expressed significant affinity to tackle this resistance; hence, this calls for the development of novel evidence-based therapeutics.
本研究聚焦于评估从牛乳腺炎乳样中分离出的（）和（）的抗菌耐药性，以及通过分子对接分析揭示（植物名称）和（植物名称）的植物化合物的抗乳腺炎潜力。从各个奶牛场采集乳腺炎乳样，用于分离细菌（和）及其对抗生素的反应。制备了两种植物的乙醇提取物。评估了它们的抗菌活性，并对其进行了植物化学分析，之后与细菌的致病蛋白进行了分子对接分析。进行了参数和非参数统计分析以得出本研究的结论。研究结果显示，（细菌名称）对氨苄西林、阿米卡星和万古霉素的耐药性较高（≥40%），而（细菌名称）对氨苄西林、红霉素和环丙沙星的耐药性最高。（植物名称）和（植物名称）的乙醇提取物对多重耐药的（细菌名称）和（细菌名称）产生的抑菌圈直径在18至23毫米之间。采用气相色谱 - 质谱联用（GC - MS）技术从（植物名称）中鉴定出15种植物化合物，从（植物名称）中鉴定出18种植物化合物。（植物名称）的2 - 环戊烯 - 1 - 酮、3,4,4 - 三甲基和邻苯二甲酸双（2 - 乙基己基）酯对（细菌名称）的DNA促旋酶和毒性休克综合征毒素 - 1蛋白的分子对接亲和力分别为 - 4.8千卡/摩尔和 - 5.3千卡/摩尔以及 - 5.9千卡/摩尔和 - 7.1千卡/摩尔。（植物名称）的壬二酸单甲酯对（细菌名称）的外膜蛋白A和拓扑异构酶IV蛋白的结合亲和力分别为 - 5.9千卡/摩尔和 - 5千卡/摩尔，对（细菌名称）的毒性休克综合征毒素 - 1和肠毒素B蛋白的结合亲和力分别为 - 5.1千卡/摩尔和 - 5.8千卡/摩尔。同样，2,2,4 - 三甲基 - 1,3 - 戊二醇二异丁酸酯对（细菌名称）的外膜蛋白A和拓扑异构酶IV的结合亲和力分别为 - 6.5千卡/摩尔和 - 5.3千卡/摩尔，对（细菌名称）的毒性休克综合征毒素 - 1和肠毒素B蛋白的结合亲和力分别为 - 5.2千卡/摩尔和 - 5.9千卡/摩尔。该研究得出结论，（细菌名称）和（细菌名称）的抗菌耐药性呈上升趋势，而（植物名称）和（植物名称）的植物提取物表现出显著的亲和力来应对这种耐药性；因此，这需要开发新的循证疗法。
