Network pharmacology combined with molecular docking to explore the anti-osteoporosis mechanisms of β-ecdysone derived from medicinal plants
Abstract: β-Ecdysone is a phytosteroid derived from multifarious medicinal plants, such as Achyranthes root (Achyranthes bidentata) and Tinospora cordifolia, possessing the potential anti-osteoporosis effect. However, the underlying mechanisms for β-ecdysone treating osteoporosis remain unclear. This study aims to explore the molecular mechanisms of β-ecdysone against osteoporosis by network pharmacology and molecular docking. First, the potential targets of β-ecdysone and osteoporosis were predicted by public databases. Protein interaction and functional enrichment analyses of potential targets were performed using the STRING and Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway databases. Finally, hub targets were identified from network pharmacology, and their interaction with β-ecdysone was validated by molecular docking. Results showed that 47 potential targets were related to the mechanisms of β-ecdysone treating osteoporosis. Enrichment analyses revealed that the potential targets were mainly associated with steroid biosynthetic and metabolic processes, as well as HIF-1 and estrogen signaling pathways. By protein–protein interaction network analysis, top 10 hub targets were screened, including TNF, ALB, SRC, STAT3, MAPK3, ESR1, PPARG, CASP3, TLR4, and NR3C1. Molecular docking showed that β-ecdysone had good affinity with TLR4, TNF, and ESR1. Therefore, β-ecdysone might exert therapeutic effect on osteoporosis development via targeting TLR4, TNF, and ESR1 and regulating HIF-1 and estrogen pathways.
- Location
-
Deutsche Nationalbibliothek Frankfurt am Main
- Extent
-
Online-Ressource
- Language
-
Englisch
- Bibliographic citation
-
Network pharmacology combined with molecular docking to explore the anti-osteoporosis mechanisms of β-ecdysone derived from medicinal plants ; volume:20 ; number:1 ; year:2022 ; pages:1538-1547 ; extent:10
Open chemistry ; 20, Heft 1 (2022), 1538-1547 (gesamt 10)
- Creator
-
Zeng, Bin
Wu, Xudong
Liang, Wenqing
Huang, Xiaogang
- DOI
-
10.1515/chem-2022-0262
- URN
-
urn:nbn:de:101:1-2023010313021554496244
- Rights
-
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
15.08.2025, 7:29 AM CEST
Data provider
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Zeng, Bin
- Wu, Xudong
- Liang, Wenqing
- Huang, Xiaogang
Other Objects (12)
Network pharmacology and molecular docking: combined computational approaches to explore the antihypertensive potential of Fabaceae species
Based on network pharmacology and molecular docking to explore the potential mechanism of shikonin in periodontitis
Network pharmacology analysis and experimental validation to explore the mechanism of kaempferol in the treatment of osteoporosis
Network pharmacology and molecular docking approach to elucidate the mechanisms of Liuwei Dihuang pill in diabetic osteoporosis
Network pharmacology combined with molecular docking to explore the potential mechanisms for the antioxidant activity of Rheum tanguticum seeds
Network pharmacology prediction and molecular docking-based strategy to explore the potential mechanism of Radix Astragali against hypopharyngeal carcinoma
Integrating network pharmacology and molecular docking to explore the potential mechanism of Xinguan No. 3 in the treatment of COVID-19
Medicinal uses, phytochemistry and pharmacology of Ammodaucus leucotrichus
Network pharmacology and molecular docking of cyclomastopathy Chinese medicine formula
Integrating network pharmacology, molecular docking and experimental verification to explore the therapeutic effect and potential mechanism of nomilin against triple-negative breast cancer
To investigate the mechanism of Yiwei Decoction in the treatment of premature ovarian insufficiency-related osteoporosis using transcriptomics, network pharmacology and molecular docking techniques
A Review of the Medicinal Uses and Pharmacology of Ashitaba
Network pharmacology and molecular docking: combined computational approaches to explore the antihypertensive potential of Fabaceae species
Based on network pharmacology and molecular docking to explore the potential mechanism of shikonin in periodontitis
Network pharmacology analysis and experimental validation to explore the mechanism of kaempferol in the treatment of osteoporosis
Network pharmacology and molecular docking approach to elucidate the mechanisms of Liuwei Dihuang pill in diabetic osteoporosis
Network pharmacology combined with molecular docking to explore the potential mechanisms for the antioxidant activity of Rheum tanguticum seeds
Network pharmacology prediction and molecular docking-based strategy to explore the potential mechanism of Radix Astragali against hypopharyngeal carcinoma
Integrating network pharmacology and molecular docking to explore the potential mechanism of Xinguan No. 3 in the treatment of COVID-19
Medicinal uses, phytochemistry and pharmacology of Ammodaucus leucotrichus
Network pharmacology and molecular docking of cyclomastopathy Chinese medicine formula
Integrating network pharmacology, molecular docking and experimental verification to explore the therapeutic effect and potential mechanism of nomilin against triple-negative breast cancer
To investigate the mechanism of Yiwei Decoction in the treatment of premature ovarian insufficiency-related osteoporosis using transcriptomics, network pharmacology and molecular docking techniques
A Review of the Medicinal Uses and Pharmacology of Ashitaba
Network pharmacology and molecular docking: combined computational approaches to explore the antihypertensive potential of Fabaceae species
Based on network pharmacology and molecular docking to explore the potential mechanism of shikonin in periodontitis
Network pharmacology analysis and experimental validation to explore the mechanism of kaempferol in the treatment of osteoporosis
Network pharmacology and molecular docking approach to elucidate the mechanisms of Liuwei Dihuang pill in diabetic osteoporosis
Network pharmacology combined with molecular docking to explore the potential mechanisms for the antioxidant activity of Rheum tanguticum seeds
Network pharmacology prediction and molecular docking-based strategy to explore the potential mechanism of Radix Astragali against hypopharyngeal carcinoma
Integrating network pharmacology and molecular docking to explore the potential mechanism of Xinguan No. 3 in the treatment of COVID-19
Medicinal uses, phytochemistry and pharmacology of Ammodaucus leucotrichus
Network pharmacology and molecular docking of cyclomastopathy Chinese medicine formula
Integrating network pharmacology, molecular docking and experimental verification to explore the therapeutic effect and potential mechanism of nomilin against triple-negative breast cancer
To investigate the mechanism of Yiwei Decoction in the treatment of premature ovarian insufficiency-related osteoporosis using transcriptomics, network pharmacology and molecular docking techniques