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Dihydropyridines as potential α-amylase and α-glucosidase inhibitors: Synthesis, in vitro and in silico studies.
Bioorganic Chemistry ( IF 5.1 ) Pub Date : 2020-01-15 , DOI: 10.1016/j.bioorg.2020.103581
Hina Yousuf 1 , Shahbaz Shamim 1 , Khalid Mohammed Khan 2 , Sridevi Chigurupati 3 , Kanwal 1 , Shehryar Hameed 1 , Muhammad Naseem Khan 4 , Muhammad Taha 5 , Minhajul Arfeen 3
Affiliation  

Dihydropyridine derivatives 1-31 were synthesized via one-pot solvent free condition and screened for in vitro against α-amylase and α-glucosidase enzyme. The synthetic derivatives 1-31 showed good α-amylase inhibition in the range of IC50 = 2.21 ± 0.06-9.97 ± 0.08 µM, as compared to the standard drug acarbose (IC50 = 2.01 ± 0.1 µM) and α-glucosidase inhibition in the range of IC50 = 2.31 ± 0.09-9.9 ± 0.1 µM as compared to standard acarbose (IC50 = 2.07 ± 0.1 µM), respectively. To determine the mode of binding interactions of synthetic molecules with active sites of enzyme, molecular docking studies were also performed. Different spectroscopic techniques such as 1H, 13C NMR, EI-MS, and HREI-MS were used to characterize all the synthetic compounds.

中文翻译:

二氢吡啶类作为潜在的α-淀粉酶和α-葡萄糖苷酶抑制剂:合成,体外和计算机研究。

通过一锅法无溶剂条件合成二氢吡啶衍生物1-31,并在体外针对α-淀粉酶和α-葡萄糖苷酶进行筛选。与标准药物阿卡波糖(IC50 = 2.01±0.1 µM)相比,合成衍生物1-31在IC50 = 2.21±0.06-9.97±0.08 µM范围内表现出良好的α-淀粉酶抑制作用,在该范围内具有α-葡萄糖苷酶抑制作用与标准阿卡波糖(IC50 = 2.07±0.1 µM)相比,IC50 = 2.31±0.09-9.9±0.1 µM。为了确定合成分子与酶活性位点的结合相互作用的模式,还进行了分子对接研究。使用各种光谱技术(例如1H,13C NMR,EI-MS和HREI-MS)来表征所有合成化合物。
更新日期:2020-01-15
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