Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity
datasetposted on 25.02.2020, 21:45 by Yifan Fu, Xiaoyu Ding, Xianglei Zhang, Xingcheng Shao, Jihui Zhao, Yechun Xu, Xiaomin Luo, Weimin Zhao
Thirty-two diterpenoids were obtained from the root bark of Pinus massoniana, and, among them, five compounds (pinmassins A–E) were identified as undescribed analogues. Spectroscopic methods, X-ray single-crystal diffraction analysis, and ECD calculations were applied to establish the structure of the new isolates. Pinmassin D (4) and abieta-8,11,13,15-tetraen-18-oic acid (23) showed moderate phosphodiesterase type 4D (PDE4D) inhibitory effects with IC50 values of 2.8 ± 0.18 and 3.3 ± 0.50 μM, respectively, and their binding modes were investigated by a molecular docking study.
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dockingcalculation4D2.8pinmassinbarkacidanalogueDiterpenoidECDEvaluationPinus massonianaSpectroscopicabietaPhosphodiesterase Type 4 D Inhibitory Activity Thirty-two diterpenoidsIC 50 valuesmethodbindingX-ray single-crystal diffraction analysisphosphodiesterase type 4 Dcompound0.50PDE0.18undescribedmodePinmassinBark3.3