The computed binding energy values (Δ<i>E</i><sub>binding</sub>) for the molecular docking study for the binding of myricetin, quercetin, chrysin or flavone with human COX I or COX II.

Abstract

<p>The ligand-enzyme interaction energy value (Δ<i>E</i><sub>binding</sub>) was calculated using the following equation: Δ<i>E</i><sub>binding</sub> = <i>E</i><sub>complex</sub>−(<i>E</i><sub>COX</sub>+<i>E</i><sub>ligand</sub>), where <i>E</i><sub>complex</sub> was the potential energy for the complex of COX bound with the ligand, <i>E</i><sub>COX</sub> was the potential energy of the enzyme alone, and <i>E</i><sub>ligand</sub> was the potential energy for the ligand alone.</p

    Similar works

    Full text

    thumbnail-image

    Available Versions