Synthesis, antimalarial activity assay and molecular docking study of N-substituted chloro-pyrazolines

Purpose: To synthesize chloro-pyrazolines (A–D), determine their antimalarial activity against Plasmodium falciparum strain 3D7 in vitro, and understand the interaction between falcipain-2 active sites synthesized compounds by molecular docking simulation.Methods: Chloro-pyrazolines (A–D) were via cyclo-condensation of 4-chloro chalcone derivatives using several types hydrazines, i.e., formylhydrazine, benzoylhydrazine, phenylhydrazine chlorophenylhydrazine. The analyzed subjected to assay P. 3D7. Molecular was performed AutoDock Tools Vina, while each docked compound visualized Discovery Studio Visualizer.Results: Pyrazolines A–D yield 87.09, 61.71, 50.24 57.64 %, respectively. Antimalarial showed half-maximal inhibitory concentration (IC50) values 16.46 5.55 μM for pyrazoline A B, respectively, ≥ 100 C D. study revealed that pyrazolines had good with site receptor.Conclusion: series N-substituted has successfully been moderate yield. Pyrazoline B highest IC50 μM. This finding is supported indicates benzoyl substituent increases B. potentials clinical application as an antimalaria agent.