Background: Buyang Huanwu Tang (BYHWT) and relevant Traditional Chinese
medicine (TCM) has its unique advantages in the treatment of cerebral ischemia. However, its pharmacological
mechanism has not been fully explained.
Objective: Base on the multi-component, also the entire disease network targets, the present study
sets out to identify major bioactive ingredients, key disease targets, and pathways of BYHWT
against cerebral ischemia disease by systematic pharmacological methodology.
Methods: Both the bioactive compounds from the BYHWT and the positive drugs against cerebral
ischemia were fully investigated. The binding targets of the positive drugs were then obtained. A
virtual screening protocol was then used to highlight the compound-target interaction and network
was constructed to visualize the compound-target binding effect after docking analysis. Moreover,
the targets enrichment analysis for biological processes and pathways were performed to further explore
the function of bio-targets protein gene and its role in the signal pathway.
Results: A total of 382 active ingredients of the BYHWT and 23 candidate disease targets were
identified. Virtual screening results indicated that multiple bioactive compounds targeted multiple
proteins. Each compound acts on one or more targets. The mechanisms were linked to 20 signaling
pathways, and the key mechanism was related to serotonergic synapse, calcium signaling pathway
and camp signaling pathways.
Conclusion: The present study explored the bioactive ingredients and mechanisms of BYHWT
against cerebral ischemia by systematic pharmacological methodology. The novel methodology
would provide a reference for the lead discovery of precursors, disease mechanism and material
base for TCM.