Abstract：Objective：To analyze the mechanism of Tianma Gouteng Yin in treating Parkinson's disease （PD）， Alzheimer's disease（ AD），and cerebral infarction（ CI） based on network pharmacology，molecular docking technology， and molecular dynamics simulation. Methods：The active ingredients and corresponding targets of Tianma Gouteng Yin were predicted using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform（ TCMSP）， the HERB database，and the PubChem platform to comprehensively obtain relevant target proteins. Disease targets were systematically collected from GeneCards， DrugBank， and OMIM databases. Intersecting targets between drugs and diseases were extracted， and a Venn diagram was constructed to visualize the overlap. A protein-protein interaction （PPI） network was then constructed on the STRING platform， followed by visualization and topological analysis using Cytoscape. For the screened core targets， their distribution across different organs and tissues was retrieved to construct a network relationship diagram between key targets and organ tissues. Gene Ontology （GO） functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes （KEGG） pathway enrichment analysis were performed on potential targets using the DAVID database. Based on the above analysis，key active ingredients of the formula and core disease targets were further selected， and molecular docking simulations were conducted using AutoDock Vina. Molecular dynamics simulations were also performed on selected complexes to assess binding stability. Results：A total of 181 active ingredients of Tianma Gouteng Yin were screened，corresponding to 386 targets. A total of 3 040，2 403，and 2 126 targets were obtained for PD，AD，and CI，respectively，with 131 intersecting targets. The main active ingredients obtained were epicatechin， quercetin， stigmasterol， β-sitosterol， and kaempferol. The PPI network analysis identified AKT serine/threonine kinase 1 （AKT1）， interleukin-6 （IL-6）， tumor necrosis factor （TNF），interleukin-1β （IL-1β），and tumor protein p53 （TP53） as potential core targets of Tianma Gouteng Yin in treating AD， PD， and CI. The KEGG analysis primarily involved signaling pathways such as atherosclerosis， TNF， advanced glycation end products-receptor for advanced glycation end products （AGE-RAGE） in diabetic complications， and interkeukin-17（IL-17）. Molecular docking demonstrated favorable binding between core components and targets， and molecular dynamics simulations further confirmed the conformational stability of the complexes. Conclusion： Network pharmacology analysis suggests that Tianma Gouteng Yin may act through core components such as quercetin and β-sitosterol on common targets closely related to neuroinflammation and cellular stress，including AKT1，IL-6，and TNF，thereby regulating shared signaling pathways such as TNF，IL-17，and lipid metabolism. It may intervene in the pathological processes of PD，AD，and CI through a common mechanism of "anti-inflammation，metabolic regulation，and neuroprotection."