德氏菌素 H，一种新型的 1(2)，2(18)-去甲吲哚二萜类化合物，来源于真菌德氏霉属，作为人妊娠相关 X 受体的天然激动剂。
Drechmerin H, a novel 1(2), 2(18)-diseco indole diterpenoid from the fungus Drechmeria sp. as a natural agonist of human pregnane X receptor.
机构信息
College of Pharmacy, College (Institute) of Integrative Medicine, College of Medical Laboratory, Advanced Institute for Medical Sciences, Dalian Medical University, Dalian 116044, China; School of Life Science and Biopharmaceutics, Shenyang Pharmaceutical University, Shenyang 110016, China.
College of Pharmacy, College (Institute) of Integrative Medicine, College of Medical Laboratory, Advanced Institute for Medical Sciences, Dalian Medical University, Dalian 116044, China.
出版信息
Bioorg Chem. 2018 Sep;79:250-256. doi: 10.1016/j.bioorg.2018.05.001. Epub 2018 May 9.
A novel 1(2), 2(18)-diseco indole diterpenoid, drechmerin H (1), was isolated from the fermentation broth of Drechmeria sp. together with a new indole diterpenoid, 2'-epi terpendole A (3), and a known analogue, terpendole A (2). Their structures were determined by HRESIMS, 1D and 2D NMR, ECD, and X-ray single crystal diffraction analyses as well as quantum chemical calculation. The abosulte configuration of terpendole A (2) was determined for the first time. Compound 1 displayed the significant agonistic effect on pregnane X receptor (PXR) with EC value of 134.91 ± 2.01 nM, and its interaction with PXR was investigated by molecular docking. Meantime, a plausible biosynthetic pathway for compounds 1-3 is also discussed in the present work.
一种新型的 1(2), 2(18)-去甲吲哚二萜类化合物，drechmerin H（1），与一种新的吲哚二萜类化合物 2'-epi 萜品 A（3）和一种已知的类似物萜品 A（2）一起从 Drechmeria sp. 的发酵液中分离出来。它们的结构通过 HRESIMS、1D 和 2D NMR、ECD 和 X 射线单晶衍射分析以及量子化学计算来确定。萜品 A（2）的绝对构型首次被确定。化合物 1 对孕烷 X 受体（PXR）显示出显著的激动作用，EC 值为 134.91 ± 2.01 nM，通过分子对接研究了其与 PXR 的相互作用。同时，本文还讨论了化合物 1-3 的可能生物合成途径。
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