Exploring the molecular mechanism of Dioscorea alata L. for the treatment of menstrual disorders using network pharmacology and molecular docking

Menstrual disorders (MDs), including premenstrual syndrome, amenorrhea, and dysmenorrhea, affect women globally. <i>Dioscorea alata</i> L., a traditional yam species, has been used medicinally, but its potential in treating MDs remains understudied. This study employs a network pharmacology approach to examine the effects of <i>D. alata's</i> secondary metabolites on MDs via multi-target mechanisms. Compounds were identified from literature and PubChem, while disease-related targets were gathered from GeneCards, DisGeNET, and CTD databases. Swiss target prediction was used to link compounds to targets. A protein-protein interaction (PPI) network was constructed using STRING, and Gene Ontology (GO) and KEGG enrichment analyses were conducted to predict functional pathways. Eighteen bioactive compounds and 120 therapeutic targets specific to MDs were identified. KEGG analysis revealed 20 significant pathways related to menstrual disturbances. Among the 120 targets, TNF α, PPARG, ESR1, and AKT1 were highlighted as key therapeutic targets. Molecular docking showed strong interactions between Daidzein and ESR1, Diosgenin and TNF α, Alatanin and AKT1, and PPARG. The findings suggest that <i>D. alata's</i> bioactive compounds, such as Diosgenin, Daidzein, Genistin, Cycloartane, and Alatanin, could modulate pathways involved in ovarian follicle formation, hormone regulation, estrogen receptor signaling, and the stress-activated MAP kinase pathway. This study provides new insights into the multi-target potential of <i>D. alata</i> for treating menstrual disorders, supporting further investigation and therapeutic development.