计算辅助分配 Kadsurols，一类用于控制肝癌的化学预防剂。
Computationally Assisted Assignment of the Kadsuraols, a Class of Chemopreventive Agents for the Control of Liver Cancer.
机构信息
State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica , Chinese Academy of Medical Sciences and Peking Union Medical College , Beijing 100050 , People's Republic of China.
Department of Drug Discovery and Biomedical Sciences, College of Pharmacy , Medical University of South Carolina , Charleston , South Carolina 29425 , United States.
出版信息
Org Lett. 2018 Sep 21;20(18):5559-5563. doi: 10.1021/acs.orglett.8b02207. Epub 2018 Sep 7.
Kadsuraols A-C (1-3), which are tetrahydrocyclobutaphenanthrofuranone-type lignans with a new carbon skeleton comprising a four-membered ring across C-1'-C-8, have been isolated from the roots of Kadsura longipedunculata. Their structures and absolute configurations were unambiguously determined using nuclear magnetic resonance, X-ray diffraction crystallography, DP4+ calculations, and computed and experimental electronic circular dichroism spectra. Kadsuraol C (3) exhibited hepatoprotective activity against N-acetyl- p-aminophenol (APAP)-induced toxicity. The compounds showed no cytotoxicity at 10 μM in a zone assay.
卡杜拉醇 A-C（1-3）是四氢环丁并[B]菲喃型木脂素，具有全新的碳骨架，包含一个跨 C-1'-C-8 的四元环。它们从长梗南五味子的根部分离得到。使用核磁共振、X 射线衍射晶体学、DP4+计算以及计算和实验电子圆二色谱谱确定了它们的结构和绝对构型。卡杜拉醇 C（3）对 N-乙酰-对氨基酚（APAP）诱导的毒性具有肝保护活性。在区域测定中，这些化合物在 10 μM 时没有细胞毒性。
Zotero 插件