桦褐孔菌来源的高度修饰甾体。
Highly modified steroids from Inonotus obliquus.
机构信息
Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning province, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, China.
School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang 110016, China.
出版信息
Org Biomol Chem. 2020 May 27;18(20):3908-3916. doi: 10.1039/d0ob00474j.
Six undescribed steroids were isolated from the fungus Inonotus obliquus. Notably, compounds 1 and 2 represented the first example of 8,14-seco-4-methylpregnane. By spectroscopic data analyses, quantum chemical calculations and DP4+ probability analysis, their structures were unambiguously determined. The absolute configurations of the compounds 1-6 were defined by comparison of their experimental and calculated electronic circular dichroism (ECD) spectra data. The structure of compound 1 was also confirmed by single-crystal X-ray diffraction. All isolated steroids were evaluated for their neuroprotective activities against H2O2-induced cell injury in human neuroblastoma SH-SY5Y cells, among which compound 2 showed moderate activity at 12.5 μM.
从真菌 Inonotus obliquus 中分离得到六种未被描述的甾体化合物。值得注意的是，化合物 1 和 2 代表了首例 8,14-去甲-4-甲基孕烷。通过光谱数据分析、量子化学计算和 DP4+ 概率分析，明确了它们的结构。通过比较实验和计算的电子圆二色性（ECD）光谱数据，确定了化合物 1-6 的绝对构型。化合物 1 的结构还通过单晶 X 射线衍射得到了证实。所有分离得到的甾体化合物均对人神经母细胞瘤 SH-SY5Y 细胞中 H2O2 诱导的细胞损伤的神经保护活性进行了评价，其中化合物 2 在 12.5 μM 时表现出中等活性。
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