In Silico Analysis of Selected Honey Constituents as Human Neutrophil Elastase (HNE) and Matrix Metalloproteinases (MMP 2 and 9) Inhibitors.

In the present study 12 constituents of honey were evaluated on the docking behavior of human neutrophil elastase and matrix metalloproteinases (MMP 2 and MMP 9) using Discovery Studio. In addition molecular physicochemical, bioactivity, absorption, distribution, metabolism, excretion, and toxicity, and toxicity prediction by komputer assisted technology analyses were done. The molecular physicochemical analysis revealed thatall of the ligands comply with Lipinski’s rule of five. Docking studies revealed that 3-phenyllacticacid exhibited the maximum interaction energy irrespective of its target proteins.The present study provided new insight in understanding these honey constituents as potential enzyme inhibitors. [ABSTRACT FROM AUTHOR]