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In this work, nine novel thiazole derivatives of substituted benzenesulfonamide carboxylate were designed, synthesized and characterized (1H NMR, 13C NMR and Mass Spectra) for their possible development as antimalarial agents. All synthesized compounds were subjected to molecular docking, drug-likeness, ADMET properties and molecular dynamics studies by in silico methods using Biovia Discovery Studio (DS) 2020 software. The molecular docking study of all the synthesized compounds was carried out against Plasmodium falciparumcysteine protease falcipain 2 (FP-2, 3BPF) and falcipain 3 (FP-3, 3BPM) enzymes using the CDocker program of DS. Further, the best docked compound was studied by molecular dynamics simulation method followed by MM-PBSA calculation. In molecular docking studies, the synthesized thiazolyl benzenesulfonamides exhibited remarkable binding affinity against FP-2 and FP-3 enzymes.Molecular dynamics studies further confirmed the antimalarial potential of the compounds with the formation of well-defined and stable receptor-ligand interactions against both the falcipain enzymes. One derivative, ethyl 4-methyl-2-(4-methyl-2-(4-methylphenylsulfonamido)pentanamido) thiazole-5-carboxylate possesses promising inhibitory potential against both P. falciparumfalcipain 2 and falcipain 3 enzymes. Based upon present findings, the thiazolyl benzenesulfonamide-5-carboxylates can be further evaluated for in vitro and in vivo antimalarial effectiveness towards possible development as antimalarial lead molecules and/ or potent antimalarial drug candidates.

Coumarin, sulphonamide, and amide scaffolds exhibit diverse pharmacological features and constitute an important class of therapeutic agents. In this review, we have discussed the synthesis, biological properties, and SAR of coumarins containing sulphonamide or amide group in the last seven years. Many reviews on the therapeutic activities of coumarins, sulphonamides, and amides have been published. Hence the authors focused on coumarin-linked sulphonamide or amide scaffolds. The review provides information on the synthetic route to new coumarins containing sulphonamide or amide groups with improved pharmacological properties.

The design of the environmentally friendly approach to the synthesis of biologically important compounds without compromising the yield has been the focus of many chemists in recent years. The development of the one-pot synthesis of heterocycles in the presence of Ionic Liquids (ILs), used as both environmental media and catalysts, is efficient and environmentally sustainable. This review highlights the one-pot synthesis of imidazoles in acidic ILs in the past decade. Some reviews have been conducted on imidazoles, such as their pharmacological importance. Hence, we decided to focus on their synthesis in acidic ionic liquids, which the authors are not aware of any published literature.