Evaluation of antiplasmodial activity in silico and in vitro of N-acylhydrazone derivatives.

ABSTRACT: N-acylhydrazones are considered privileged structures in medicinal chemistry, being part of antimicrobial compounds (for example). In this study we show the activity of N-acylhydrazone compounds, namely AH1, AH2, AH4, AH5 in in vitro tests against the chloroquine-resistant strain of Plasmodium falciparum (W2) and against WI26 VA-4 human cell lines. All compounds showed low cytotoxicity (LC₅₀ > 100 µM). The AH5 compound was the most active against Plasmodium falciparum, with an IC₅₀ value of 0.07 μM. AH4 and AH5 were selected among the tested compounds for molecular docking calculations to elucidate possible targets involved in their mechanism of action and the SwissADME analysis to predict their pharmacokinetic profile. The AH5 compound showed affinity for 12 targets

SUBMITTER: Oliveira FA 

PROVIDER: S-EPMC9271247 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature