This study evaluated the effect of etomidate against biofilms of Candida spp. and analysed through molecular docking the interaction of this drug with ALS3, an important protein for fungal adhesion. Three fluconazole-resistant fungi were used: Candida albicans, Candida parapsilosis and Candida tropicalis. Growing biofilms were exposed to etomidate at 31.25–500 µg ml−1. Then, an ALS3 adhesive protein from C. albicans was analysed through a molecular mapping technique, composed of a sequence of algorithms to perform molecular mapping simulation based on classic force field theory. Etomidate showed antifungal activity against growing biofilms of resistant C. albicans, C. parapsilosis and C. tropicalis at all concentrations used in the study. The etomidate coupling analysis revealed three interactions with the residues of interest compared to hepta-threonine, which remained at the ALS3 site. In addition, etomidate decreased the expression of mannoproteins on the surface of C. albicans. These results revealed that etomidate inhibited the growth of biofilms.

中文翻译：

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依托咪酯对耐氟康唑的念珠菌属生物膜生长的抗真菌活性。菌株，与甘露糖蛋白结合，并与ALS3蛋白分子对接。

这项研究评估了依托咪酯对念珠菌生物膜的影响。并通过分子对接分析了该药物与ALS3（一种重要的真菌粘附蛋白）之间的相互作用。使用了三种耐氟康唑的真菌：白色念珠菌，副念珠菌和热带念珠菌。生长的生物膜在31.25–500 µg ml -1下暴露于依托咪酯。然后，通过分子作图技术分析了来自白色念珠菌的ALS3粘附蛋白，该技术由一系列算法组成，以基于经典力场理论进行分子作图模拟。依托咪酯显示出抗真菌活性，可抵抗不断增长的抗药性生物膜研究中使用的所有浓度的白色念珠菌，副念珠菌和热带念珠菌。依托咪酯偶联分析显示，与残留在ALS3位点的七-苏氨酸相比，与目标残基有三种相互作用。此外，依托咪酯降低白色念珠菌表面甘露糖蛋白的表达。这些结果表明依托咪酯抑制生物膜的生长。