Network pharmacology and molecular docking were used to study the mechanism of flavonoid in the treatment of alcoholic liver

Abstract

The aim of this project is to explore the mechanism of the treatment of alcoholic liver by means of network pharmacology and molecular docking. In this study, the chemical components of the extract of Callistephus chinensis (L.) Nees. were characterized by LC-MS/MS, identifying 6 compounds by positive and negative total ion flow maps. The target of chrysanthemum was derived from SwissTargetPrediction database, and the target related to alcoholic liver was derived from GeneCards and OMIM database. Add the target to the String database to build the protein interaction platform Microbiology software was used for GO bioprocess enrichment analysis and KEGG pathway enrichment analysis, and the target pathway network was constructed. In Discovery Studio 2016 Client software verified molecular docking, China aster flavonoids compounds and the adhesion strength of the key targets. Five potential active components were screened from the flavonoid monomer compounds of the chrysanthemum Cupressus. 546 Bioprocess (BP), 75 cell composition (CC) and 185·molecular function (MF) were obtained by GO enrichment analysis. KEGG enrichment analysis for each cross target involved a pathway. Network analysis showed that it was the main active component of flavonoids in the treatment of alcoholic liver, and other related signals were related to the treatment of alcoholic liver. This study showed that the flavonoids of Callistephus chinensis (L.) Nees were involved in the treatment of alcoholic liver by regulating multi-target and multi-pathway.

Keywords

Callistephus chinensis (L.) Nees / alcoholic liver disease / flavonoid compounds / network pharmacology / molecular docking

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