A bioactive new protostane-type triterpenoid from Alisma plantago-aquatica subsp. orientale (Sam.) Sam. |
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| Authors: | Ya-Li Wang Jian-Chao Zhao Jia-Hao Liang Xiang-Ge Tian Xiao-Kui Huo Lei Feng |
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| Affiliation: | 1. Key Laboratory of Structure-Based Drug Design &2. Discovery, Ministry of Education, Department of Natural Products Chemistry, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University , Shenyang, China;3. College of Pharmacy, College (Institute) of Integrative Medicine, Dalian Medical University , Dalian, China;4. College of Pharmacy, College (Institute) of Integrative Medicine, Dalian Medical University , Dalian, China |
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| Abstract: | A new protostane-type triterpenoid, 5β,29-dihydroxy alisol A (1) was isolated from Alisma plantago-aquatica subsp. orientale (Sam.) Sam. as well as 12-deoxyphorbol-13α-pentadecanoate (2). We first report the presence of compound 2 in the genus Alisma. Their structures were established on the basis of 1D and 2D NMR, and HRESIMS spectroscopic analyses. All the isolated compounds were assayed for their inhibitory effects against human carboxylesterase 2 (HCE-2). Compounds 1 and 2 displayed inhibitory activities against HCE-2 with IC50 values of 29.2 and 4.6 μM, respectively. The interaction mechanisms of HCE-2 with compounds 1 and 2 were investigated by molecular docking, respectively. |
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| Keywords: | Alisma orientale protostane HCE-2 inhibitor molecular docking |
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