Contribution à la modélisation des biomolécules et leurs interactions : Cas de l’Acétylcholinestérase et le Butyrylcholinestérase (AChE/BuChE)/ inhibiteurs.

Abstract

Molecular modeling is a modern technique in chemistry, biology and pharmaceuticals that make it possible to use different methods (quantum and non-quantum methods) to discover new drugs. Our work consists in studying the inhibition of two enzymes: AChE and BuChE that are involved in Alzheimer's disease by diethyl [(2-phenylcarbamoyl) phenyl] derivatives using the molecular docking technique.We are particularly based on two parameters: score energy and the distances of the hydrogen and steric bonds. The analysis of the results obtained shows that the ligands L13, L25 have a better inhibition in the case of AChE and L4, L2 in the case of BuChE, this allowed us to select them as probably the best inhibitors