La Base moléculaire du potentiel antimicrobien de quelques composés de la fraction dichlorométhane de Mitragyna inermis (Willd.) O. Ktze
DOI :
https://doi.org/10.64707/revstss.v48i2.1833Mots-clés :
Mitragyna inermis, composés non-polaires, antimicrobiens, fraction dichlorométhane, screening virtuelRésumé
Le screening virtuel est devenu un outil moderne de diagnostic en amont des tests expérimentaux de laboratoire de découverte de molécules hits. Ce screening estime l'affinité́ et le mode de liaison plausible des potentiels principes actifs aux cibles thérapeutiques. A cet effet, la fraction au dichlorométhane des écorces de tronc de Mitragyna inermis (Willd.) O. Ktze est potentiellement actif sur des microorganismes, mais la nature des composés ainsi que leur implication en tant que des actifs restent méconnue. Pour ce faire, des analyses chromatographiques sur couche mince, des analyses de résonance magnétique nucléaires ainsi qu'une chromatographie en phase gageuse et la spectrométrie de masse ont été effectuées sur cette fraction. Puis, un screening virtuel avec AutoDock Vina a été́ effectué sur des cibles variées de mécanismes antimicrobiens telles que, uréase microbienne, dihydroteroate synthetase, 14-α-demethylase, squalene epoxidase, Sap1 aspartic proteinase, quorum sensing signal receptor LasR, topoisomerase II DNA gyrase, tyrosyl-tRNA synthetase et la bêta-lactamase. À la suite de ces analyses, le profil pharmacocinétique des composés identifiés définit à l'aide de SwissADME a permis de filtrer les potentiels médicaments. De ces analyses, quatorze composés plus ou moins apolaires ont été́ identifiés. Deux d'entre eux à savoir l’acide 6-((2-ethylhexyl)oxy)-6-oxohexanoique et l’acide 2-(((2-ethylhexyl)oxy)carbonyl)benzoique se sont révélés être des molécules hits. De ce fait, des études ultérieures peuvent être entreprises pour la validation in vitro en tant que de potentiels antimicrobiens.
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