Introduction:Yi-Gan-San, Parkinson's disease, tremor-dominant, network pharmacology, molecular docking,
Uncaria rhynchophylla.Methods:We identified 75 active compounds within YGS. From these, we predicted 110 gene
targets, which exhibited a direct association with PD-DT. PPI network results highlighted core
target proteins, including TP53, SLC6A3, GAPDH, MAOB, AKT, BAX, IL6, BCL2, PKA, and
CASP3. These proteins potentially alleviate PD-DT by targeting inflammation, modulating neuronal
cell apoptosis, and regulating the dopamine system. Furthermore, GO and KEGG enrichment
analyses emphasized that YGS might influence various mechanisms, such as the apoptotic
process, mitochondrial autophagy, Age-Rage signaling, and dopaminergic and serotonergic synapses.
The core proteins from the PPI analysis were selected for the docking experiment.Results:The docking results demonstrated that the most stable ligand-receptor conformations
were kaempferol with CASP3 (-9.5 kcal/mol), stigmasterol with SLC6A3 (-10.5 kcal/mol), shinpterocarpin
with BCL2L1 (-9.6 kcal/mol), hirsutine with MAOB (-9.7 kcal/mol), hederagenin
with PRKACA (-9.8 kcal/mol), and yatein with GAPDH (-9.8 kcal/mol). These results provide
us with research objectives for future endeavors in extracting single compounds for drug manufacturing
or in-depth studies on drug mechanisms.Conclusion:From these computational findings, we suggested that YGS might mitigate PD-DT
via “multi-compounds, multi-targets, and multi-pathways.”