Bioinformatic insights into the biochemical efficacy of a fungal metabolite: asperyellone

Abstract

The present study emphasizes the biochemical and bioinformatics insights of a fungal secondary metabolite identified as Asperyellone in detail. In brief, yellow color pigment, Asperyellone (AY) obtained from Aspergillus species...

Combined virtual and experimental screening of multicomponent crystals of 2,4-dichlorophenoxyacetic acid

“…MEPs has been widely used for predicting the molecular interaction sites, as well as molecular recognition patterns in the crystal structure. 57,58 The value of MEP reflects the strength of the intermolecular interaction between two molecules, which is essential for understanding the form of multicomponent crystals. Generally speaking, molecules always preferentially interact in a complementary manner.…”