Polyphenols of four medicinal plants extracts and relation with antifungal activities through in vitro and in silico studies

Several medicinal plant´s extracts contain phenolic compounds with antifungal properties useful in pharmaceutical formulations. This study selected species from Cocó River State Park in Fortaleza, Ceará, Brazil, and compare their efficiency as antifungal products. To achieve this goal phenolic profile and anticandidal actions of extracts were evaluated, main constituents were characterized and correlated with antifungal properties through in vitro and in silico studies. Anacardium occidentale, Myracrodruon urundeuva, Laguncularia racemosa, and Terminalia catappa were chosen. The plant parts were collected in accordance with folk medicine recommendation. The main compounds present in the extracts were gallic acid, epicatechin, ellagic acid, isoquercitrin, quercetin and rutin, detected by high performance liquid chromatography analysis. The anticandidal activity of extracts varied from high to moderate, and A. occidentale present the best activity followed by L. racemosa. The in silico studies revealed that affinity energy (∆G) for ellagic acid (-9.4), isoquercitrin (-9.3) and rutin (-9.0) kcal moL-1 were better in relation to secreted aspartic proteinase 5 (Sap5) from Candida albicans, nevertheless ellagic acid and isoquercitrin act in different places in relation to the active site of Sap5 and could act in synergism with fluconazole.