Jiawei Shoutai Pill is a traditional Chinese medicine formulation used clinically by physicians to treat diminished ovarian reserve (DOR) with positive outcomes. This study aimed to explore the potential pharmacological mechanisms of Jiawei Shoutai Pill in treating DOR by using network pharmacology methods. The effective compounds from traditional Chinese medicine were collected from the TCMSP, SYMmap, and PubChem, and the corresponding targets were retrieved from PubChem, Swiss Target Prediction, and DrugBank. Additionally, targets for DOR were obtained from GeneCards and Online Mendelian Inheritance in Man databases. Subsequently, multiple networks were constructed and gene enrichment analysis was performed using Cytoscape3.9.0 software. Molecular docking and molecular dynamics simulations were conducted based on previous research results. After screening, 72 active compounds and 292 target genes of Jiawei Shoutai Pill (excluding duplicate target genes) were identified, resulting in 1371 target genes related to the disease. A total of 149 cross-target genes were identified between the drug and disease targets. Kyoto encyclopedia of genes and genomes and gene ontology analyses emphasized the various gene functions and signaling pathways involved in treating DOR. Further molecular docking and dynamics simulations partially confirmed the practicality of the action Jiawei Shoutai Pill in vivo. The pharmacological effect of the Jiawei Shoutai Pill on DOR may be related to the PI3K-AKT, TNF, and lipopolysaccharide pathways. This study paves the way for further research on the mechanism of action of the Jiawei Shoutai Pill.