Venkatramanan Mahendrarajan, Sankar Ganesh Pitchaipillai, Senthil Renganathan, Akshay Jeyachandran, Veera Ravi Arumugam, Langeswaran Kulanthaivel, Vadivelu Jamuna, Nagarajan Samuthira, Rajendran Kaliaperumal, Shankar Esaki Muthu
Infection Biology, Department of Life Sciences, Central University of Tamil Nadu, Neelakudi, Thiruvarur 610 005, India.
Department of Bioinformatics, Marudupandiyar College, Vallam, Thanjavur 613403, India.
ACS Omega. 2020 Sep 29;5(40):25605-25616. doi: 10.1021/acsomega.0c02483. eCollection 2020 Oct 13.
() is a Gram-negative, rod-shaped facultatively anaerobic bacterium implicated with recalcitrant human infections. Here, we evaluated the anti-QS and antibiofilm activities of ethyl acetate extracts of () on the likely inactivation of acyl-homoserine lactone (AHL)-regulated molecules in both by in vitro and in silico analyses. Our investigations showed that the sub-MIC levels were 2, 1, and 0.5 mg/mL, and the concentrations showed a marked reduction in violacein pigment production by 75.8, 64.6, and 35.2%. AHL quantification showed 72.5, 52.2, and 35.9% inhibitions, inhibitions of EPS production (72.8, 36.5, and 25.9%), and reductions in biofilm formation (90.7, 69.4, and 51.8%) as compared to a control. Light microscopy and CLSM analysis revealed dramatic reduction in the treated biofilm group as compared to the control. GC-MS analysis showed 20 major peaks whose chemical structures were docked as the CviR ligand. The highest docking score was observed for hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl) ethyl ester bonds in the active site of CviR with a binding energy of -8.825 kcal/mol. Together, we found that hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl) ethyl ester remarkably interacted with CviR to inhibit the QS system. Hence, we concluded that hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl) ethyl ester of could likely be evaluated for treating infections.
（）是一种革兰氏阴性、杆状兼性厌氧菌，与难治性人类感染有关。在此，我们通过体外和计算机模拟分析评估了（）乙酸乙酯提取物对（）中酰基高丝氨酸内酯（AHL）调节分子可能的失活作用的抗群体感应（QS）和抗生物膜活性。我们的研究表明，亚抑菌浓度水平分别为2、1和0.5mg/mL，这些浓度使紫色杆菌素色素产生显著降低，分别降低了75.8%、64.6%和35.2%。AHL定量分析显示抑制率分别为72.5%、52.2%和35.9%，胞外多糖（EPS）产生的抑制率分别为72.8%、36.5%和25.9%，与对照相比生物膜形成减少了90.7%、69.4%和51.8%。光学显微镜和共聚焦激光扫描显微镜（CLSM）分析显示，与对照相比，处理后的生物膜组有显著减少。气相色谱-质谱联用（GC-MS）分析显示有20个主要峰，其化学结构对接为CviR配体。在CviR活性位点中，十六烷酸2-羟基-1-（羟甲基）乙酯键的对接得分最高，结合能为-8.825千卡/摩尔。我们共同发现，十六烷酸2-羟基-1-（羟甲基）乙酯与CviR有显著相互作用以抑制QS系统。因此，我们得出结论，（）的十六烷酸2-羟基-1-（羟甲基）乙酯可能可用于评估治疗（）感染。
