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Title : In vitro α-amylase inhibition effect of ethanol extract of Alpinia nigra (Gaertn.) leaves and molecular docking, ADME/T property studies of some of its isolated compounds.
Authors : Mohammad Shah Hafez Kabir, Syed Mohammed Tareq, Mohammad Nazmul Islam, Bishwajit Guha, Rahul Mutsuddy, Md. Mazharul Islam, Mohammad Hossain, Mohammed Shamim hasan, Arkajyoti Paul, Abul Hasanat
Abstract : The present study aims to investigate the α-amylase inhibition of ethanol extract of Alpinia nigra (EEAN) (Gaertn.) leaves by modified enzyme inhibitory action and in silico molecular docking used for five phytoconstituents namely α-fenchyl acetate, α-pinene, α-terpineol, camphene, camphor isolated from A. nigra, to identify whether these compounds interact with the responsible protein (α-amylase enzyme). And also ADME/T properties of the phytoconstituents were analyzed using Qikprop 3.2 module. EEAN had good α-amylase inhibitory activity (IC50 = 1.803±0.032 mg/ml) as compared to Acarbose. A wide range of docking score found during molecular docking by Schrodinger. α-fenchyl acetate, α-pinene, α-terpineol, camphene, camphor showed the docking score -3.938, -3.344, -3.291, -3.463, -3.547, respectively. Among all the compounds, α-fenchyl acetate showed highest docking score. So, α-fenchyl acetate is the best compounds for α-amylase inhibition, as it possessed higher value in Molecular docking. From the ADME profiles of all the tested compounds, it cleared that they might safe for human. Further in vivo investigation need to identify whether isolated compounds from A. nigra have α-amylase inhibitory activity or not.

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