[Study on Material Base of Panax ginseng for Treating Brain Ischemia Based on Molecular Docking].

Abstract

Objective: On the basis of molecular docking,to study the mechanism of Panax ginseng in the treatment of ischemic stroke.

Methods: The small molecules of Panax ginseng based on molecular docking technology docked with 20 key targets protein of cerebral ischemia, and multi-component protein target network was established by Cytoscape 3. 1. 1 software. At the same time,the two active molecules of the Panax ginseng of Rb2 and 20( R)-ginsenoside Rg2 were also analyzed by VEGF and Caspase-3,which were the key protein in brain ischemia.

Results: There were 31 active molecules of Panax ginseng combined strongly with five or more than five protein targets after molecular docking, and only four active molecules of Panax ginseng combined strongly with ten or more than ten protein targets. The two active molecules of Rb2 and 20( R)-ginsenoside Rg2 in the Panax ginseng had a very strong combination with VEGF and Caspase-3,respectively,and the docking scores were more than 7. 0.

Conclusion: Molecular docking technology screening active substances of Panax ginseng plays a practical significance in the treatment of ischemic stroke, which offers the foundation to study the chemical constituents of composite prescription.