Simulation and prediction of material foundation of Puerariae Radix for ischemic stroke based on molecular docking technology
- Author:
Kening LI
1
Author Information
1. School of Traditional Chinese Medicine, Guangdong Pharmaceutical University
- Publication Type:Journal Article
- Keywords:
Cerebral ischemic stroke;
Molecular docking;
Puerariae Radix;
Puerarin;
Virtual screening
- From:
Chinese Traditional and Herbal Drugs
2018;49(8):1847-1853
- CountryChina
- Language:Chinese
-
Abstract:
Objective To study the mechanism of Puerariae Radix in the treatment of ischemic stroke by using molecular docking technology. Methods The small molecules of Puerariae Radix based on molecular docking technology docked with 21 key targets protein of cerebral ischemic stroke, and multi-component protein target network was established by Cytoscape 3.1.1 software. Results Through virtual screening of molecular docking technology, 28 active small molecules of Puerariae Radix were chosen, 12 of which were novel small molecules, and it identified that 11 of those compounds had strong interactions with no less than 10 targets. Conclusion The molecular docking can be used to find the active components of Puerariae Radix in treatment of cerebral ischemic stroke, which provide a new reference of studying on the multiple ingredients and targets of Chinese materia medica compounds.
