GREEN SYNTHESIS OF 5-ARYL-1,2,4-TRIAZOLIDINE-3-THIONES USING GLYCEROL–WATER MEDIUM, AND THEIR MOLECULAR DOCKING STUDIES AS POTENTIAL ANTIMALARIAL AGENTS

The emergence of drug-resistant malaria strains continues to challenge global malaria control efforts. Misuse and overuse of existing antimalarial therapies have contributed to the development of resistant variants of Plasmodium falciparum. In this work, we report the synthesis, characterization and in silico analysis of 5-aryl-1,2,4-triazolidine-3-thione derivatives as potential agents against drug-resistant P. falciparum. Their interactions with two essential parasitic targets: PfDHFR-TS and Falcipain-2, were investigated through molecular docking to assess their potential antimalarial activity. The compounds 3a-3o were synthesized using an eco-friendly method that uses glycerol and water as solvents. The reaction conditions were gentle, making the process more sustainable and efficient, with good results in a shorter time. NMR and FT-IR tests confirmed that the compounds were formed correctly. The docking results suggest that these compounds bind well to PfDHFR-TS and FP-2.