np9b01269_si_001.cif (318.02 kB)
Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity
dataset
posted on 2020-02-25, 21:45 authored by Yifan Fu, Xiaoyu Ding, Xianglei Zhang, Xingcheng Shao, Jihui Zhao, Yechun Xu, Xiaomin Luo, Weimin ZhaoThirty-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
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