番石榴属
化学
立体化学
IC50型
对接(动物)
植物
生物
生物化学
体外
医学
护理部
作者
Xianfeng Xiao,Xuerong Zhang,Zhenkun Yang,Aijia Ji,Caiyan Wang,Qian Feng,Zhongqiu Liu,Rong-Rong Zhang
标识
DOI:10.1021/acs.jafc.1c08089
摘要
Six unusual meroterpenoids, psidiguajadiol A-J (1-6), and three known meroterpenoids (7-9) were isolated from the leaves of Psidium guajava L. Compounds 2-6 represent the first examples of 6/8-formyl-5,7-dihydroxy-4-phenylchromane-coupled sesquiterpenoids. The structures of the undescribed compounds, including their absolute configurations, were elucidated by spectroscopic analyses, X-ray diffraction, and computational calculations. Compounds 3, 4, and 6 exhibited inhibitory activities against PTP1B with IC50 values of 9.83, 18.52, and 16.87 μM, respectively. In light of these findings, we performed molecular docking studies to predict their inhibition mechanisms at the atomic level.
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