Natural phosphodiesterase-4 (PDE4) inhibitors from Crotalaria ferruginea.

Abstract

Bioassay-guided fractionation of the ethanol extract of the Chinese folk medicine Crotalaria ferruginea led to the isolation of a new isoflavonoid, 4'-hydroxy-2'-methylalpinum-isoflavone (1), and eight known analogs (2-9). Their structures were elucidated by spectroscopic analysis. Compounds 1, 2, 5, and 8 showed inhibitory activities against phosphodiesterase-4 (PDE4), a therapeutic target of asthma, with IC50 values ranging from 2.57 to 8.94 μM. The possible action mechanism and the structure-activity relationship (SAR) of the active isoflavonoids were explored by using molecular docking and molecular dynamics (MD) simulation methods. Our study herein may explain the anti-inflammatory function of this plant in Chinese folk medicine.

• Authors: Ye-Na Liu, Yi-You Huang, Jing-Mei Bao, Ying-Hong Cai, Yan-Qiong Guo, Shao-Nan Liu, Hai-Bin Luo, Sheng Yin
• Journal: Fitoterapia (Fitoterapia) Vol. 94 Pg. 177-82 (Apr 2014) ISSN: 1873-6971 [Electronic] Netherlands
• PMID: 24594242 (Publication Type: Journal Article, Research Support, Non-U.S. Gov't)
• Copyright: Copyright © 2014 Elsevier B.V. All rights reserved.

Chemical References

• 4'-hydroxy-2'-methylalpinum-isoflavone
• Anti-Inflammatory Agents
• Isoflavones
• Phosphodiesterase 4 Inhibitors
• Plant Extracts

Topics

• Anti-Inflammatory Agents (chemistry, isolation & purification, pharmacology)
• Crotalaria (chemistry)
• Inhibitory Concentration 50
• Isoflavones (chemistry, isolation & purification, pharmacology)
• Medicine, Chinese Traditional
• Molecular Dynamics Simulation
• Molecular Structure
• Phosphodiesterase 4 Inhibitors (chemistry, isolation & purification, pharmacology)
• Plant Extracts (chemistry, isolation & purification, pharmacology)
• Plants, Medicinal
• Structure-Activity Relationship