Network pharmacology and molecular docking reveal the mechanism of Angelica dahurica against Osteosarcoma

Medicine (Baltimore). 2022 Nov 4;101(44):e31055. doi: 10.1097/MD.0000000000031055.

Abstract

Osteosarcoma (OS) is a malignant bone tumor of mesenchymal origin. Angelica dahurica is a typical traditional Chinese herb. Angelica dahurica is used in the treatment of a variety of tumors. However, the studies of Angelica dahurica for OS have not been reported. To investigate Angelica dahurica's potential mechanism of action in the treatment of OS, we used network pharmacology and molecular docking methods in this study. Of which the network pharmacology includes the collection of active ingredients of Angelica dahurica, the collection of predicted targets of Angelica dahurica and predicted targets of OS, the analysis of therapeutic targets of Angelica dahurica, gene ontology (GO) enrichment, and Kyoto encyclopedia of genes and genomes (KEGG) enrichment. The Venn plot performance showed that there were 225 predicted targets of Angelica dahurica for the treatment of OS. The therapeutic targets enrichment analysis results showed that Angelica dahurica treated OS through multiple targets and pathways. Angelica dahurica could affect OS's proliferation, apoptosis, migration, infiltration, and angiogenesis through a signaling network formed by pivotal genes crosstalking numerous signaling pathways. In addition, molecular docking results showed that sen-byakangelicol, beta-sitosterol, and Prangenin, have a relatively high potential to become a treatment for patients with OS and improve 5-year survival in OS patients. We used network pharmacology and molecular docking methods to predict the active ingredients and significant targets of Angelica dahurica for the treatment of OS and, to a certain extent, elucidated the potential molecular mechanism of Angelica dahurica in the treatment of OS. This study provided a theoretical basis for Angelica dahurica in the treatment of OS.

MeSH terms

  • Angelica*
  • Drugs, Chinese Herbal* / pharmacology
  • Drugs, Chinese Herbal* / therapeutic use
  • Humans
  • Molecular Docking Simulation
  • Network Pharmacology
  • Osteosarcoma* / drug therapy

Substances

  • Drugs, Chinese Herbal