Network pharmacology and molecular docking to elucidate the mechanism of antiaging of Platycodon grandiflorus.

BACKGROUND

Platycodon grandiflorus (PG) is a traditional Chinese medicinal herb widely cultivated in China. Although studies have demonstrated its effects in combating aging, the specific mechanisms underlying these effects have rarely been reported. This study utilized network pharmacology and molecular docking techniques to explore the active components of PG and its potential antiaging mechanisms.

METHODS

Active components of PG sourced from the traditional Chinese medicine systems pharmacology database, as well as the targets of active components and aging culled from databases like GeneCards, and their common targets were presented using a Venn diagram. Common targets were imported into the STRING database for protein-protein interaction analysis, and core targets were defined, which were enriched for Kyoto Encyclopedia of Genes and Genomes pathways. Molecular docking between active components and targets was performed using AutoDockTools software.

RESULTS

Our findings unveiled a total of 264 targets correspond to 7 active ingredients of PG, as well as 2906 potential targets related to aging, of which 152 were common targets. Among these common targets, 10 core targets have been identified as potentially playing a role in the antiaging effects of PG. Kyoto Encyclopedia of Genes and Genomes enrichment analysis of these targets revealed that PG regulates the aging process through various pathways, such as estrogen signaling pathway, lipid and atherosclerosis pathway, and apoptosis pathway. Molecular docking analysis further demonstrated a robust binding affinity between the active component acacetin and the antiaging targets CASP3 and SRC, as well as between spinasterol and the target ESR1.

CONCLUSION

In summary, through this research, we screened information pertaining to PG's active components and initially predicted potential targets and pathways for its antiaging effects, which required further experimental verification, however, our study provided a solid theoretical foundation for subsequent research on PG's antiaging mechanisms and the development of related products.