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

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 senbyakangelicol, 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. Abbreviations: BP = biological process, CC = cellular component, ESR1 = estrogen receptor, ETCM = The Encyclopedia of Traditional Chinese Medicine, GAPDH = glyceraldehyde-3-phosphate dehydrogenase, GO = gene ontology, IL1B = interleukin-1beta, IL6 = interleukin-6, INS = insulin, KEGG = Kyoto encyclopedia of genes and genomes, MF = molecular function, OS = osteosarcoma, PPARG = peroxisome proliferator-activated receptor gamma, KM = Kaplan-Meier, PPI = protein-protein interaction, PRKACA = cAMP-dependent protein kinase catalytic subunit alpha, RELA = transcription factor p65, RXRA = retinoic acid receptor RAR-alpha, TCMSP = the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, TNF = tumor necrosis factor.

Use of network pharmacology and molecular docking to explore the mechanism of action of curcuma in the treatment of osteosarcoma

“…For example, Zhao et al reported that Polygonum cuspidatum inhibits Akt/ERK/EGFR pathways to exert its effects on the cell cycle and apoptosis of OS cells 16 . Zhang et al have also shown that Angelica dahurica targets multiple pathways, including the MAPK signaling pathway, PI3K-Akt signaling pathway, and TNF signaling pathway, to treat OS by acting on multiple targets, such as ESR and TNF 17 . Curcuma is also a commonly applied TCM with anti-inflammatory, anticoagulant, analgesic, antitumor, hypolipidemic, and other pharmacological effects.…”

Network pharmacology and experiment indicated that medicinal food homologous components play important roles in insomnia

“…We conducted literature searches on the treatment of insomnia using Chinese and English keywords such as “insomnia” through several databases, including China National Knowledge Infrastructure, Wanfang Data, China Science and Technology Journal Database (Zhou et al., 2022) and National Center for Biotechnology Information. In addition, we searched for relevant literature on the treatment of insomnia using traditional Chinese medicine and food through databases, such as Traditional Chinese Medicine Information Database (TCMID) (Huang et al., 2018), Traditional Chinese Medicine Integrated Database (TCM) (Fang et al., 2021), Symptom Mapping (SymMap) (Wu et al., 2019), and Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) (Zhang et al., 2022). These searches will provide a comprehensive understanding of the current state of research on treating insomnia using both conventional and traditional Chinese medicine approaches.…”

“…In this study, we utilized TCMSP (https://tcmsp-e.com/) (Zhang et al., 2022) to screen for active ingredients in medicinal and food homologous substances (Panossian et al., 2022). We employed pharmacokinetic parameters as screening conditions for active ingredients in traditional Chinese medicines, setting the oral bioavailability (OB) to ≥30% and drug‐likeness (DL) to ≥0.18.…”

“…Notably, any traditional Chinese medicine ingredients and targets that were unable to be queried in TCMSP (Zhang et al., 2022) were supplemented using TCMID (https://www.bidd.group/TCMID/) (Huang et al., 2018), and only targets related to humans were selected for analysis.…”

“…We conducted literature searches on the treatment of insomnia using Traditional Chinese Medicine Information Database (TCMID) (Huang et al, 2018), Traditional Chinese Medicine Integrated Database (TCM) (Fang et al, 2021), Symptom Mapping (SymMap) (Wu et al, 2019), and Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) (Zhang et al, 2022). These searches will provide a comprehensive understanding of the current state of research on treating insomnia using both conventional and traditional Chinese medicine approaches.…”