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Comb Chem High Throughput Screen. 2019;22(9):612-624. doi: 10.2174/1386207322666191106110615.

Virtual Screening of Potential Anti-fatigue Mechanism of Polygonati Rhizoma Based on Network Pharmacology.

Author information

1
Center for Drug Safety Evaluation and Research, Shanghai University of Traditional Chinese Medicine, Shanghai, China.
2
Department of Pharmacy, Anqing Medical and Pharmaceutica College, Anqing, China.
3
Anhui No.2 Provincial People's Hospital, Hefei, 230012, China.

Abstract

BACKGROUND AND OBJECTIVE:

A large number of people are facing the danger of fatigue due to the fast-paced lifestyle. Fatigue is common in some diseases, such as cancer. The mechanism of fatigue is not definite. Traditional Chinese medicine is often used for fatigue, but the potential mechanism of Polygonati Rhizoma (PR) is still not clear. This study attempts to explore the potential anti-fatigue mechanism of Polygonati Rhizoma through virtual screening based on network pharmacology.

METHODS:

The candidate compounds of PR and the known targets of fatigue are obtained from multiple professional databases. PharmMapper Server is designed to identify potential targets for the candidate compounds. We developed a Herbal medicine-Compound-Disease-Target network and analyzed the interactions. Protein-protein interaction network is developed through the Cytoscape software and analyzed by topological methods. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment are carried out by DAVID Database. Finally, we develop Compound-Target-Pathway network to illustrate the anti-fatigue mechanism of PR.

RESULTS:

This approach identified 12 active compounds and 156 candidate targets of PR. The top 10 annotation terms for GO and KEGG were obtained by enrichment analysis with 35 key targets. The interaction between E2F1 and PI3K-AKT plays a vital role in the anti-fatigue effect of PR due to this study.

CONCLUSION:

This study demonstrates that PR has multi-component, multi-target and multipathway effects.

KEYWORDS:

E2F1; Fatigue; KEGG; PI3K-AKT; network pharmacology; polygonati rhizoma (PR).

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