2-Amino thiazole derivatives as inhibitors of some metabolic enzymes: An in vitro and in silico study.

The thiazole derivatives are desirable compounds in the evaluation of their biological activities such as antiprotozoal antibacterial, antifungal, antituberculosis. Considering the medical application potential of 2-amino thiazole compounds, we aimed to determine the effects of 2-amino thiazole derivatives on the activities of carbonic anhydrase I-II isoenzymes, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Among the chemicals we used in our study, 2-amino-4-(4-chlorophenyl)thiazole compound exhibited the best inhibition against hCA I with K i of 0.008 ± 0.001 μM. The 2-amino-4-(4-bromophenyl)thiazole compound exhibited the best inhibition against hCA II, AChE, and BChE with K i of 0.124 ± 0.017, 0.129 ± 0.030, and 0.083 ± 0.041 μM, respectively. Molecular docking analysis showed that compound 2-amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole had the highest inhibitory potency against hCA I, hCA II, AChE, BChE with the estimated binding energy of -6.75, -7.61, -7.86, -7.96 kcal/mol, respectively.