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Prediction of the Active Ingredients and Mechanism of ASH against Liver Cancer Based on Network Pharmacology and Molecular Docking

DOI: 10.4236/oalib.1107739, PP. 1-14

Subject Areas: Biological Engineering, Molecular Biology, Medical Genetics

Keywords: Artemisiae scopariae Herba (ASH), Liver Cancer, Network Pharmacology, Molecular Docking

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Abstract

The network pharmacology and molecular docking technology were used to elucidate the mechanism of Artemisiae scopariae Herba (ASH) against liver cancer (LC). TCMSP and UniProt database were used to collect the active ingredients of ASH and predict their potential targets. The targets of LC were screened by GeneCards, OMIM and TTD database. The intersections of drug and disease targets were obtained by online software Venny 2.1, and the intersection targets were imported into R software (v3.6.3) for GO and KEGG function enrichment analysis. Construction of protein-protein interaction (PPI) network through STRING database, Cytoscape software was used to screen hub genes. Molecular docking analysis of hub genes was carried out with AutoDock vina software. A total of 13 active ingredients were screened out from ASH and 103 drug and disease intersection targets were screened. Finally, 7 hub targets including AKT1, TP53, JUN, MAPK1, TNF, RELA, IL6 were screened out. The hub targets were docked well with some active ingredients. The active ingredients of ASH are involved in hepatitis B, hepatitis C and other signaling pathways by acting on AKT1, TP53, JUN and other targets, which may play a role in the treatment of LC.

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Guo, W. , Zhang, K. and Yang, L. (2021). Prediction of the Active Ingredients and Mechanism of ASH against Liver Cancer Based on Network Pharmacology and Molecular Docking. Open Access Library Journal, 8, e7739. doi: http://dx.doi.org/10.4236/oalib.1107739.

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