Chromobacterium violaceum is a Gram-negative, saprophytic bacterium that can infect humans and its virulence may be regulated by quorum sensing via N-acyl homoserine lactones. A virtual screening study with plant compounds and nonsteroidal anti-inflammatory drugs for inhibition of C. violaceum quorum sensing system has been performed. In vitro evaluation was done to validate the in silico results. Molecular docking showed that phytol, margaric acid, palmitic acid, dipyrone, ketoprofen, and phenylbutazone bound to structures of CviR proteins of different C. violaceum strains. Phytol presented higher binding affinities than AHLs and furanones, recognized inducers, and inhibitors of quorum sensing, respectively. When tested in vitro, phytol at a non-inhibitory concentration was the most efficient tested compound to reduce phenotypes regulated by quorum sensing. The results indicate that in silico compound prospection to inhibit quorum sensing may be a good tool for finding alternative lead molecules.

中文翻译：

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植物化合物和非甾体类抗炎药会干扰紫色色杆菌中的群体感应。

Chromobacterium v​​iolaceum 是一种革兰氏阴性腐生细菌，可以感染人类，其毒力可通过 N-酰基高丝氨酸内酯的群体感应来调节。对植物化合物和非甾体类抗炎药抑制紫罗兰色菌群体感应系统进行了虚拟筛选研究。进行了体外评估以验证计算机结果。分子对接显示叶绿醇、海藻酸、棕榈酸、安乃近、酮洛芬和保泰松与不同紫罗兰色杆菌菌株的 CviR 蛋白结构结合。叶绿醇分别比 AHL 和呋喃酮、公认的诱导剂和群体感应抑制剂具有更高的结合亲和力。在体外测试时，非抑制浓度的植醇是最有效的测试化合物，可以减少群体感应调节的表型。结果表明，抑制群体感应的电子化合物勘探可能是寻找替代先导分子的好工具。