Molecular docking and multivariate analysis of xanthones as antimicrobial and antiviral agents.

ABSTRACT: Xanthones are secondary metabolites which have drawn considerable interest over the last decades due to their antimicrobial properties, among others. A great number of this kind of compounds has been therefore reported, but there is a limited amount of studies on screening for biological activity. Thus, as part of our research on antimicrobial agents of natural origin, a set of 272 xanthones were submitted to molecular docking (MD) calculations with a group of seven fungal and two viral enzymes. The results indicated that prenylated xanthones are important hits for inhibition of the analyzed enzymes. The MD scores were also analyzed by multivariate statistics. Important structural details were found to be crucial for the inhibition of the tested enzymes by the xanthones. In addition, the c

SUBMITTER: Bernal FA 

PROVIDER: S-EPMC6332503 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature