TITLE:
Application of a Pulsed Electric Field to Modify the Free Energy of the Active Site of an Azoreductase
AUTHORS:
Jesus Magyber de Jesus Miranda, Pedro Guillermo Reyes-Romero, Jorge Mulia-Rodríguez, Daniel Osorio-González
KEYWORDS:
Pulsed Electric Field, Molecular Dynamics, Docking, Azoreductase
JOURNAL NAME:
Journal of Applied Mathematics and Physics,
Vol.12 No.1,
January
31,
2024
ABSTRACT: The Gibbs free energy is strongly related to the stability and catalytic function of an enzyme through the energetic changes that occur in the chemical reactions the enzyme catalyzes. In this in silico study, a pulsed electric field was applied to an azoreductase, and its effect on the Gibbs free energy of molecular docking with two dyes was measured. We propose that certain stimuli from a pulsed electric field favor the structural stability of the enzyme by promoting an arrangement in the active site, potentially leading to an enhancement of enzymatic activity overall.