根茎
立体化学
二维核磁共振波谱
羧酸酯酶
化学
圆二色性
异核单量子相干光谱
IC50型
碳-13核磁共振
分子模型
对接(动物)
酶
生物
生物化学
体外
植物
医学
护理部
作者
Zhen-Peng Mai,Kun Zhou,Guang‐Bo Ge,Chao Wang,Xiaokui Huo,Peipei Dong,Sa Deng,Baojing Zhang,Hou-Li Zhang,Shanshan Huang,Xiaochi Ma
标识
DOI:10.1021/acs.jnatprod.5b00321
摘要
Twelve new and 10 known protostane triterpenoids were isolated from the rhizome of Alisma orientale. Their structures were elucidated based on physical data analyses, including UV, HRESIMS, NMR experiments (1H, 13C NMR, 1H–1H COSY, HSQC, HMBC, and NOESY), and induced electronic circular dichroism. New compounds 1–12 were classified as protostanes (1–10), 29-norprotostane (11), and 24-norprotostane (12) by structure analyses. Furthermore, the inhibitory effects on human carboxylesterases (hCE-1, hCE-2) of compounds 1–22 were evaluated. Compounds 2, 6, 9, and 11 showed moderate inhibitory activities and were selective toward hCE-2 enzymes, with IC50 values of 8.68, 4.72, 4.58, and 2.02 μM, respectively. The inhibition kinetics of compound 11 toward hCE-2 were established, and the Ki value was determined as 1.76 μM using a mixed inhibition model. The interaction of bioactive compound 11 with hCE-2 was shown using molecular docking.
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