Virtual screening of active compounds from jasminum lanceolarium and potential targets against primary dysmenorrhea based on network pharmacology

In present study, multi-target and multi-pathway mechanisms of Jasminum lanceolarium Roxb (JL) on primary dysmenorrhea (PDM) treatment were predicted by the approach of network pharmacology and molecular docking, leading to the obtaining of 22 predicted targets for 69 compounds in JL. The Compound-Target analysis displayed intimate association among targets and compounds. Meanwhile, the Compound-Target-Target revealed PTGS2, OPRD1 and NOS3 were the key targets with intensive interaction. The Compound-Target-Pathway network indicated these pathways were closely related to hormone regulation, central analgesia, spasmolysis and inflammation. The anti-inflammation pathways might be the key mechanism of JL for the treatment of PDM based on KEGG pathway enrichment analysis and pharmacological experiment, and 10-hydroxyoleoside dimethyl ester might be a promising leading compound due to its good molecular docking scores and previous experimental evaluation.

Keywords: Jasminum lanceolarium; molecular docking; network pharmacology; primary dysmenorrhea.