Network-assisted Investigation into Mechanism of Dachuanxiong Fang on Migraine

OBJECTIVE To understand the mechanism of Dachuanxiong Fang on migraine. METHODS Data mining， Molecular docking and Network Analysis were employed to investigate the active compounds and key target protein. RESULTS 38 active hits were identified by virtual screening， of which， most compounds had good oral bioavailability and might be optimal CNS exposure. Among them， 16 molecules (senkyunolide M， levistolide A， chuanxiongterpene， riligustilide， etc.) could significantly contribute to alleviate migraine. And they could target 18 protein (such as CGRP， p38， TNF-α， iGluR5， NOS) to inhibit neurogenic inflammation and neutrotransmitters， to reduce the sensitive of nociceptors originated in the trigeminal ganglion， and to combat the genesis and propagation of cortical spreading depression. CONCLUSION It was illustrated the molecular mechanism and the key active compounds of Dachuanxiong Fang， which was helpful for wet experiments to explore targets and active compounds.