Preliminary study on potential compounds and mechanism of Chuanxiong Chatiao granules in treating migraine

Abstract

Migraine is a common clinical disabling disease that seriously affects the patient's health, and there are many adverse reactions associated with the drugs that treat it. Chuanxiong Chatiao granules (CXCT) have the effect of dispersing wind and relieving pain, and are often used to treat migraine. At present, the potential compounds and mechanism of CXCT in the treatment of migraine are unclear. In this study, a total of 119 components of CXCT were identified, based on UHPLC-QE-Orbitrap-MS, which preliminarily characterized the potential compounds of CXCT, and Schrodinger software was used to carry out molecular docking between these 119 components and migraine targets. The first 30 components with low binding energy were selected and entered on the Swisstarget website to predict targets, resulting in 318 treating targets being obtained by intersection of the components with the disease targets. Cytoscape software was used to construct the ''compounds-targets-disease'' network, and 124 related pathways were obtained from the Kyoto Encyclopedia of Genes and Genomes (KEGG) database. It was predicted that CXCT could play a role in the treatment of migraine by regulating neurotransmitter transmission, inflammation, angiogenesis, vasomotor, immunity and other pathways.

Keywords

• Chuanxiong Chatiao granules
• Migraine
• UHPLC-QE-Orbitrap-MS
• Network pharmacology