Antifungal Constituents of and Their Activities as Ergosterol Biosynthesis Inhibitors Discovered via In Silico Study Using ADMET and Drug-Likeness Analysis.

Along with the increasing resistance of spp. to some antibiotics, it is necessary to find new antifungal drugs, one of which is from the medicinal plant Red Betel (). The purpose of this research is to isolate antifungal constituents from and evaluate their activities as ergosterol biosynthesis inhibitors via an in silico study of ADMET and drug-likeness analysis. Two new active compounds and and a known compound were isolated, and their structures were determined using spectroscopic methods, while their bioactivities were evaluated via in vitro and in silico studies, respectively. Antifungal compound was the most active compared to and with zone inhibition values of 14.5, 11.9, and 13.0 mm, respectively, at a concentration of 10% /, together with MIC/MFC at 0.31/1.2% /. Further in silico study demonstrated that compound had a stronger ΔG than the positive control and compounds and with -11.14, -12.78, -12.00, and -6.89 Kcal/mol against ERG1, ERG2, ERG11, and ERG24, respectively, and also that had the best Ki with 6.8 × 10, 4 × 10, 1.6 × 10, and 8.88 μM. On the other hand, an ADMET analysis of - met five parameters, while had one violation of Ro5. Based on the research data, the promising antifungal constituents of allow to be proposed as a new antifungal candidate to treat and cure infections due to .