HUBEI AGRICULTURAL SCIENCES ›› 2023, Vol. 62 ›› Issue (10): 100-108.doi: 10.14088/j.cnki.issn0439-8114.2023.10.018

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Study on anti-aging mechanism of Polygonati Rhizoma based on network pharmacology and molecular docking

KE Chang-hu1, YAN Hui1, ZHAO Yang2, ZHU Jun1, LI Zhi-hao1   

  1. 1. Sinopharm Dongfeng General Hospital Affiliated to Hubei University of Medicine, Shiyan 442008,Hubei, China;
    2. The Second Affiliated Hospital of Xi'an Jiaotong University(Xibei Hospital), Xi'an 710004, China;
  • Received:2022-06-17 Published:2023-11-14

Abstract: The material basis and mechanism of anti-aging of Polygonati Rhizoma were revealed by network pharmacology and molecular docking. The chemical composition of Polygonati Rhizoma was obtained through TCMSP database; and the relevant target corresponding to the chemical composition of Polygonati Rhizoma was collected through Swiss target prediction database; the relevant targets of aging diseases were screened in GeneCards, OMIM, DiGSeE and HAGR databases; Venny 2.1 online software was used to obtain the common targets of drugs-disease; the“drug-ingredient-target-disease” network was constructed by using the software Cytoscape 3.8.2; the protein interaction network was constructed by using STRING database; GO functional enrichment and KEGG pathway enrichment analysis were carried out through DAVID database, and molecular docking verification of key active ingredients and action targets was performed using AutoDock software. The results showed that 12 active components of Polygonati Rhizoma produced anti-aging effects by regulating 81 targets and 79 pathways. The five key chemical components were baicalein, 4′,5-dihydroxyflavone, glycyrrhizin, (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one, and zhonghualiaoine 1, which could mediate pathways in cancer, proteoglycans in cancer, HIF-1, Ras, central carbon metabolism in cancer, PI3K-Akt, FoxO, Rap1 and other signaling pathways through EGFR, VEGFA, HIF1A, ESR1, STAT3 and other key target proteins to play anti-aging roles. Molecular docking showed that the screened target protein had good binding activity with the active ingredient.

Key words: Polygonati Rhizoma, aging, network pharmacology, molecular docking, mechanism of action

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