Systematic Elucidation of the Potential Mechanism of Erzhi Pill against Drug‐Induced Liver Injury via Network Pharmacology Approach

Abstract

Objective. e purpose of this work was to investigate the bioactive compounds, core genes, and pharmacological mechanisms and to provide a further research orientation of Erzhi pill (EZP) on drug-induced liver injury (DILI). Methods. At first, we collected information of bioactive compounds of EZP from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and previous studies. And then, the targets related to bioactive compounds and DILI were obtained from 4 public databases. At last, Cytoscape was used to establish a visual network. Moreover, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses and network analysis were performed to investigate potential mechanism of EZP against DILI. Results. A total of 23 bioactive compounds and 89 major proteins of EZP were screened out as potential players against DILI. Association for bioactive compounds, core targets, and related pathways was analyzed, implying that core targets related to these pathways are ALB, AKT1, MAPK1, EGFR, SRC, MAPK8, IGF1, CASP3, HSP90AA1, and MMP9, and potential mechanisms of EZP acting on DILI are closely related to negative regulation of apoptosis process, improvement of lipid metabolism, and positive regulation of liver regeneration process. Conclusion. is study demonstrated the multicompound, multitarget, and multichannel characteristics of EZP, which provided a novel approach for further research the mechanism of EZP in the treatment of DILI.

Yanghe Decoction Suppresses the Experimental Autoimmune Thyroiditis in Rats by Improving NLRP3 Inflammasome and Immune Dysregulation

“…Firstly, we searched the CAS IDs and canonical SMILES strings of the major constituents including 2-Hexaprenyl-6-methoxy-1,4-benzoquinone, 4-Amino-1-piperidinecarboxylic acid, 5-Megastigmen-7-yne-3, 9-diol 3-glucoside, Corchoionoside B, Ilicifolinoside A, Moclobemide, Molludistin 2″-rhamnoside, Perilloside C, Sampangine, Solanolone, Sterol, 2-Dodecylbenzenesulfonic acid, 3,4′,5-Trihydroxy-3′,7-dimethoxyflavanone, 3-O-Caffeoyl-1-O-methylquinic acid, Carvyl propionate, Eremopetasidione, Glucoliquiritin apioside, Inulobiose, Isoliquiritin, Naringin 6″-rhamnoside and Neolicurosidein YH decoction on Pubchem database ( https://pubchem.ncbi.nlm.nih.gov/ ) ( Zhang et al, 2020 ). Afterward, the canonical SMILES strings were imported into the Swiss TargetPrediction tool ( www.swisstargetprediction.ch/ ), a web server for potential drug target prediction by reversed pharmacophore matching query compound against an in-house pharmacophore model database, in order to predict the potential targets of each major compound ( Huang et al, 2020 ). Furthermore, we applied R software version 4.0.2 ( http://www.r-project.org ) with several R packages, including clusterProfifiler ( Yu et al, 2012 ) and org.…”

“…Afterward, the canonical SMILES strings were imported into the Swiss TargetPrediction tool (www. swisstargetprediction.ch/), a web server for potential drug target prediction by reversed pharmacophore matching query compound against an in-house pharmacophore model database, in order to predict the potential targets of each major compound (Huang et al, 2020). Furthermore, we applied R software version 4.0.2 (http:// www.r-project.org) with several R packages, including clusterProfifiler (Yu et al, 2012) and org.…”

Chrysanthemi Flosextract alleviated acetaminophen-induced rat liver injury via inhibiting oxidative stress and apoptosis based on network pharmacology analysis

“…According to a previous report, the key word ‘drug-induced liver injury’ was imported to DrugBank ( https://go.drugbank.com/drugs ), GeneCards ( https://www.genecards.org/ ) and OMIM ( https://www.omim.org/ ) database to acquire liver injury related targets, among of which the repetitions were removed (Huang et al. 2020 ).…”

Network Pharmacology Identifies the Mechanisms of Sang‐Xing‐Zhi‐Ke‐Fang against Pharyngitis

“…Information of the bioactive compounds in SXZKF was obtained from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP, http://lsp.nwu.edu.cn/tcmsp.php ) and Bioinformatics Analysis Tool for Molecular mechanism of Traditional Chinese Medicine (BATMAN-TCM, http://bionet.ncpsb.org/batman-tcm/ ) [ 8 ]. The active ingredients of SXZKF were filtered using the following criteria: (i) oral bioavailability (OB) ≥ 30% and (ii) drug-likeness (DL) ≥ 0.18 [ 9 , 10 ]. Other ingredients were obtained through literature analysis [ 11 , 12 ].…”