Abstract：
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 Ki 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 Ki 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.
摘要：
噻唑衍生物是评价其生物活性如抗原生动物抗菌、抗真菌药,抗结核药。考虑到2-氨基噻唑类化合物的医药应用潜力,我们旨在确定2-氨基噻唑衍生物对碳酸酐酶I-II同工酶活性的影响，乙酰胆碱酯酶(AChE)和丁酰胆碱酯酶(BChE)。在我们研究中使用的化学物质中，2-氨基-4-（4-氯苯基）噻唑化合物对hCAI的抑制作用最佳，Ki为0.008±0.001μM。2-氨基-4-（4-溴苯基）噻唑化合物对hCAII表现出最佳的抑制作用，AChE,和BChE，Ki分别为0.124±0.017、0.129±0.030和0.083±0.041μM，分别。分子对接分析表明,化合物2-氨基-4-(5,6,7,8-四氢-2-萘基)噻唑对hCAⅠ的抑制效力最高,HCAII,AChE,BChE的估计结合能为-6.75，-7.61，-7.86，-7.96kcal/mol，分别。
