Synthèse et étude docking moléculaire de quelques dérivés de chalcones

Abstract

The aim of the work in this note is to prepare the derivatives of chalocones from acetophenone and benzaldehyde derivatives by Claisen-Schmidt condensation, to study their antimalarial affinity. The chalcones were obtained with good yields, its structures were confirmed by spectroscopic methods FT-IR, 1H NMR and 13C NMR. In a second step, this work is based on an "in silico" study by molecular docking to predict the 3D structure of a protein-ligand complex. In this context, the MOE software is used to estimate the affinity of chalcones for the enzyme plasmepsin (4DP3), an enzyme implicated in malaria disease. According to the results obtained and compared to the reference molecule MMV (P218), the inhibitory power of which is very important, all the molecules tested have plasmepsin inhibition capacities. Chalcone D (3- (3-ethoxy-4-hydroxyphenyl) -1-phenylprop-2-en-1-one) is in first position. Key words: Chalcones, Antimalarial drugs, Claisen-Schmidt condensation, Malaria, Plasmepsin, Molecular Docking, MOE.