Synthesis of novel quinoline-based thiadiazole, evaluation of their antileishmanial potential and molecular docking studies.

ABSTRACT

New series of quinoline-based thiadiazole analogs (1-20) were synthesized, characterized by EI-MS, 1H NMR and 13C NMR. All synthesized compounds were subjected to their antileishmanial potential. Sixteen analogs 1-10, 12, 13, 16, 17, 18 and 19 with IC50 values in the range of 0.04 ±â€¯0.01 to 5.60 ±â€¯0.21 µM showed tremendously potent inhibition as compared to the standard pentamidine with IC50 value 7.02 ±â€¯0.09 µM. Analogs 11, 14, 15 and 20 with IC50 8.20 ±â€¯0.35, 9.20 ±â€¯0.40, 7.20 ±â€¯0.20 and 9.60 ±â€¯0.40 µM respectively showed good inhibition when compared with the standard. Structure-activity relationships have been also established for all compounds. Molecular docking studies were performed to determine the binding interaction of the compounds with the active site target.