Evaluación in sílico de la capacidad inhibitoria de derivados de antraquinonas sobre las enzimas glutamato racemasa y mevalonato difosfato descarboxilasa enterococcus faecalis

Abstract

Enterococcus faecalis is etymologically cataloged as one of the main agents that cause urinary tract infections. Globally, it represents a public health problem since it has widely developed a phenotype of resistance to some of the most commonly used antibiotics. All these issues have created an urgent need to research new therapeutic tools. Anthraquinones are molecules that have shown antibacterial effects and that have not been previously evaluated on two potential therapeutic targets of Enterococcus faecalis, such as the enzymes glutamate racemase and mevalonate diphosphate decarboxylase. Objective: To evaluate through in silico assays the inhibitory capacity of anthraquinone derivatives versus glutamate racemase and mevalonate diphosphate decarboxylase enzymes of Enterococcus faecalis. Materials y methods: The methodology applied was an in silico experimental study, evaluating and comparing the binding energies and interactions of 100 selected anthraquinones against glutamate racemase and mevalonate diphosphate decarboxylase enzymes from Enterococcus faecalis. Results: Ten anthraquinones with the highest levels of affinity for each of the enzymes in this research were identified, and their polar and