Network Pharmacology and Reverse Molecular Docking-Based Prediction of the Molecular Targets and Pathways for Avicularin Against Cancer
Copyright© Bentham Science Publishers; For any queries, please email at epubbenthamscience.net..
AIM AND OBJECTIVE: Avicularin has been found to inhibit the proliferation of HepG-2 cells in vitro in the screening of our laboratory. We intended to explain the molecular mechanism of this effect. Therefore, the combined methods of reverse molecular docking and network pharmacology were used in order to illuminate the molecular mechanisms for Avicularin against cancer.
MATERIALS AND METHODS: Potential targets associated with anti-tumor effects of Avicularin were screened by reverse molecular docking, then a protein database was established through constructing the drugprotein network from literature mining data, and the protein-protein network was built through an in-depth exploration of the relationships between the proteins, and then the network topology analysis was performed. Additionally, gene function and signaling pathways were analyzed by Go bio-enrichment and KEGG Pathway.
RESULTS: The result showed that Avicularin was closely related to 16 targets associated with cancer, and it may significantly influence the pro-survival signals in MAPK signaling pathway that can activate and regulate a series of cellular activities and participate in the regulation of cell proliferation, differentiation, transformation and apoptosis.
CONCLUSION: The network pharmacology strategy used herein provided a powerful means for the mechanisms of action for bioactive ingredients.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2019 |
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| Erschienen: |
2019 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:22 |
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| Enthalten in: |
Combinatorial chemistry & high throughput screening - 22(2019), 1 vom: 22., Seite 4-12 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Duan, Chaohui [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Completed 27.11.2019 Date Revised 27.11.2019 published: Print Citation Status MEDLINE |
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| doi: |
10.2174/1386207322666190206163409 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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NLM293539782 |
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| 245 | 1 | 0 | |a Network Pharmacology and Reverse Molecular Docking-Based Prediction of the Molecular Targets and Pathways for Avicularin Against Cancer |
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| 500 | |a Date Completed 27.11.2019 | ||
| 500 | |a Date Revised 27.11.2019 | ||
| 500 | |a published: Print | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a Copyright© Bentham Science Publishers; For any queries, please email at epubbenthamscience.net. | ||
| 520 | |a AIM AND OBJECTIVE: Avicularin has been found to inhibit the proliferation of HepG-2 cells in vitro in the screening of our laboratory. We intended to explain the molecular mechanism of this effect. Therefore, the combined methods of reverse molecular docking and network pharmacology were used in order to illuminate the molecular mechanisms for Avicularin against cancer | ||
| 520 | |a MATERIALS AND METHODS: Potential targets associated with anti-tumor effects of Avicularin were screened by reverse molecular docking, then a protein database was established through constructing the drugprotein network from literature mining data, and the protein-protein network was built through an in-depth exploration of the relationships between the proteins, and then the network topology analysis was performed. Additionally, gene function and signaling pathways were analyzed by Go bio-enrichment and KEGG Pathway | ||
| 520 | |a RESULTS: The result showed that Avicularin was closely related to 16 targets associated with cancer, and it may significantly influence the pro-survival signals in MAPK signaling pathway that can activate and regulate a series of cellular activities and participate in the regulation of cell proliferation, differentiation, transformation and apoptosis | ||
| 520 | |a CONCLUSION: The network pharmacology strategy used herein provided a powerful means for the mechanisms of action for bioactive ingredients | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Avicularin | |
| 650 | 4 | |a MAPK signaling pathway | |
| 650 | 4 | |a molecular mechanism | |
| 650 | 4 | |a molecular targets | |
| 650 | 4 | |a network pharmacology | |
| 650 | 4 | |a reverse molecular docking. | |
| 650 | 7 | |a Antineoplastic Agents, Phytogenic |2 NLM | |
| 650 | 7 | |a Drugs, Chinese Herbal |2 NLM | |
| 650 | 7 | |a Flavonoids |2 NLM | |
| 650 | 7 | |a avicularin |2 NLM | |
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| 700 | 1 | |a Li, Yang |e verfasserin |4 aut | |
| 700 | 1 | |a Dong, Xiaorui |e verfasserin |4 aut | |
| 700 | 1 | |a Xu, Weibin |e verfasserin |4 aut | |
| 700 | 1 | |a Ma, Yingli |e verfasserin |4 aut | |
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