Component Analysis and Mechanism Exploration of Fangji Dihuang Decoction in Treating Ischemic Stroke With Homotherapy for Heteropathy Based on Molecular Networking and Network Pharmacology

ABSTRACT

Fangji Dihuang Decoction (FJDH), a classic Chinese herbal formula, has historically been used to treat mental disorders. However, current research primarily focuses on clinical applications without analyzing the active components or elucidating modern pharmacological mechanisms for specific indications. This study aimed to discovery potential indications of FJDH and research on the components and mechanism of FJDH in treating ischemic stroke. Molecular network combined with LC–MS was used to annotate FJDH's component structures, while AI platforms enabled functional analysis of component target pathways for indication prediction. Additionally, network pharmacology revealed FJDH's therapeutic mechanisms and scientific implications in treating ischemic stroke. TargetNet‐predicted disease directions aligned well with reported FJDH indications. A total of 116 structures were annotated, with main components including terpenoids, fatty acids, flavonoids, phosphocholines, and alkaloids. The extracts of Gancao and Guizhi rich in flavonoids have demonstrated neuroprotective effects, with EC ₅₀ values 18.68 ± 1.271 and 33.63 ± 1.527 μg/mL, respectively. Ninety‐eight overlapping therapeutic targets were identified, such as key biomarkers AKT1, PTGS2, IL‐1B, IL‐6, and TNF. Via GO enrichment analysis and KEGG pathway mapping, the study clarified FJDH's therapeutic mechanisms, which is significant for explaining “homotherapy for heteropathy” of traditional Chinese medicine (TCM) and promoting secondary development of TCM.