化学
阿比坦
立体化学
环氧化物水解酶2
二维核磁共振波谱
分子模型
萜类
生物化学
酶
作者
Cheng‐Peng Sun,Yibo Chang,Chao Wang,Xia Lv,Wenbai Zhou,Xiangge Tian,Wen‐Yu Zhao,Xiaochi Ma
标识
DOI:10.1016/j.bioorg.2021.105356
摘要
Two undescribed ent-abietane-type diterpenoid dimers with nonacyclic backbone formed by intermolecular [4 + 2] cycloaddition into a spirocyclic skeleton, bisfischoids A (1) and B (2), along with a known one fischdiabietane A (3), were identified from Euphorbia fischeriana Steud. Their structures were elucidated by extensive spectroscopic analysis, ECD and NMR calculation combined with DP4+ probability analysis, as well as X-ray diffraction. The anti-inflammatory potential of dimers 1-3 were examined using their inhibitory effects on soluble epoxide hydrolase (sEH), which revealed that 1 and 2 exhibited promising activities with inhibition constant (Ki) of 3.20 and 1.95 μM, respectively. Further studies of molecular docking and molecular dynamics indicated that amino acid residue Tyr343 in the catalytic cavity of sEH was the key site for their inhibitory function.
科研通智能强力驱动
Strongly Powered by AbleSci AI