Utilizing network pharmacology, pharmacodynamics, molecular biology studies, and molecular docking techniques to uncover the mechanism of the Ligusticum wallichii-borneol medication combination for the treatment of ischemic stroke in rat models

Objective: To use pharmacodynamics, molecular biology studies, network pharmacology, and molecular docking to study the mechanism of action of the Ligusticum wallichii (known as Chuanxiong in China, CX) and borneol (known as Bingpian in China, BP) medication pair (CXBP) for the treatment of ischemic stroke.

Methods: The TCMSP, ETCM, and SymMap databases provided the effective chemical components and targets of CXBP, while the databases OMIM, GeneCards, TTD, Pubmed, Web of Science, CNKI, Wanfang Data, and VIP Database provided targets relevant to ischemic stroke. In addition we conducted animal experiments for validation.

Results: There were 33 active ingredients and 419 potential targets in CXBP, involving the key active ingredients Z-6,8',7,3'-diligustilide, Cedrene,(+)- Alpha-Funebrene, POL, Dipterocarpol, Oleanolic acid, 1-Acetyl- beta-carboline, Erythrodiol, and the key targets were transcription factor ESR1, pro-inflammatory factor PRKCA, and anti-inflammatory factor PTPN6; KEGG pathway analysis enriched 179 signaling pathways, while the results of GO enrichment comprised 2911 biological processes, 398 molecular activities, and 203 cellular components.

Conclusions: In order to improve cerebral ischemia and reperfusion injury, CXBP may act through Z-6,8',7,3'-diligustilide, Cedrene,(+)-Alpha-Funebrene, POL, Dipterocarpol, Oleanolic acid, 1-Acetyl-beta-carboline, Erythrodiol, and other important active ingredients. CXBP acts on key targets ESR1, PRKCA, and PTPN6 to regulate multiple key signaling pathways.