Molecular mechanism of Solanum Nigrum Linn in alcoholic liver damage based on network pharmacology and molecular docking

Abstract

Abstract: Solanum Nigrum Linn, the purpose of this study was to characterize the chemical components of the extract of Solanum Nigrum Linn by LC-MS/MS, and to identify 29 compounds by positive and negative total ion flow maps. The potential mechanism of action of Solanum Nigrum Linn in treating alcoholic liver injury was investigated by means of network pharmacology and molecular docking. A total of 288 component target genes and 1 010 disease target genes were obtained, and 98 intersection targets and 7 core targets were obtained after the intersection of the two genes. GO analysis and KEGG analysis respectively obtained 20 signaling pathways such as anti-infl ammation and anti-apoptosis. The results of molecular docking showed that the blood components could successfully dock with the target proteins of the disease such as GAPDH, IL6, SRC, EGFR and ESR1. This study provided a scientifi c basis for the development and application of Solanum Nigrum Linn.

Key words: LC-MS/MS, alcoholic liver damage, total phenols, network pharmacology, molecular docking

Ziqi Sun, Xiaoli Wang, Xueying Wang, Nan Yang, Xiaoshu Zhang. Molecular mechanism of Solanum Nigrum Linn in alcoholic liver damage based on network pharmacology and molecular docking[J]. Journal of Polyphenols, 2023, 5(2): 71-80.

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