A new strategy for the rapid identification and validation of direct toxicity targets of psoralen-induced hepatotoxicity

Sun, Si-Tong; Wang, Manshu; Yu, Yuan; Wang, Shuo; Ding, Haoran; Liang, Chenrui; Li, Yongming; Fan, Simiao; Li, Yubo

doi:10.1016/j.toxlet.2022.05.002

Cited by 7 publications

(3 citation statements)

References 95 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The toxicities of Herba Lysimachiae (Jinqiancao), which is usually used to treat rheumatic arthralgia, were analyzed by proteomic profiling 123 . With DARTs-based proteomics, the potential toxic target of psoralen, a major hepatotoxic and blood entry component in Fructus Psoraleae, was identified 124 . Metabolomic profiles determine molecules acting as intermediates and metabolic products and identify hormones and other signaling molecules in many biological processes 125 .…”

Section: Application Of Biotechnology In Pharmaceutical Products Anal...mentioning

confidence: 99%

Emerging biotechnology applications in natural product and synthetic pharmaceutical analyses

Chen

Zhang

et al. 2022

Acta Pharmaceutica Sinica B

View full text Add to dashboard Cite

Section: Application Of Biotechnology In Pharmaceutical Products Anal...mentioning

confidence: 99%

Emerging biotechnology applications in natural product and synthetic pharmaceutical analyses

Chen

Zhang

et al. 2022

Acta Pharmaceutica Sinica B

View full text Add to dashboard Cite

“…In silico techniques, such as virtual screening and network analysis, have become increasingly popular in efforts to understand the pharmacological foundation of traditional medicinal plant actions [ 11 ]. In particular, network pharmacology can create a relationship prediction model between drugs and disease targets, integrate an interaction network to analyze drug interactions with specific nodes in each network module, and investigate the interaction relationship between drugs and potential targets from a systematic perspective [ 12 , 13 ]. Network pharmacology is highly suited for evaluating the numerous components, targets, and pathways of TCM due to its complex composition and multitarget therapeutic characteristics [ 14 , 15 ].…”

Section: Introductionmentioning

confidence: 99%

Network Pharmacology and Molecular Docking on the Molecular Mechanism of Jiawei-Huang Lian-Gan Jiang Decoction in the Treatment of Colorectal Adenomas

Long

Yang

et al. 2022

Evidence-Based Complementary and Alternative Medicine

View full text Add to dashboard Cite

Purpose. Jiawei-Huang Lian-Gan Jiang decoction (JWHLGJD) was developed to treat and prevent the patients with colorectal adenomas (CRA) in China. This study is aimed to discover JWHLGJD’s active compounds and demonstrate mechanisms of JWHLGJD against CRA through network pharmacology and molecular docking techniques. Methods. All the components of JWHLGJD were retrieved from the pharmacology database of Traditional Chinese Medicine Systems Pharmacology (TCMSP). The GeneCards database, the Online Mendelian Inheritance in Man database (OMIM), the DrugBank database, and PharmGKB were used to obtain the genes matching the targets. Cytoscape created the compound-target network. The network of target protein-protein interactions (PPI) was constructed using the STRING database. Gene Ontology (GO) functional and the Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathways involved in the targets were analyzed by using the DAVID database. Cytoscape created the component-target-pathway (C-T-P) network. AutoDock Vina software was used to verify the molecular docking of JWHLGJD components and key targets. Core genes linked with survival and tumor microenvironment were analyzed through the Kaplan–Meier plotter and TIMER 2.0 databases, respectively. Results. Compound-target network mainly contained 38 compounds and 130 targets of the JWHLGJD associated with CRA. TP53, MAPK1, JUN, HSP90AA1, and AKT1 were identified as core targets by the PPI network. KEGG pathway shows that the pathways in cancer, lipids, and atherosclerosis, PI3K-Akt signaling pathway and MAPK signaling pathway, are the most relevant pathways to CRA. The C-T-P network suggests that the active component in JWHLGJD is capable of regulating target genes of these related pathways. The results of molecular docking showed that berberine and stigmasterol were the top two compounds of JWHLGJD, which had high affinity with TP53 and MAPK1, respectively. And, MAPK1 exerted a more significant effect on the prognosis of adenocarcinoma, for it was highly associated with various immune cells. Conclusion. Findings in this study provided light on JWHLGJD’s active components, prospective targets, and molecular mechanism. It also gave a potential way to uncovering the scientific underpinning and therapeutic mechanism of traditional Chinese medicine (TCM) formulas.

show abstract

“…Network pharmacology can create a relationship prediction model between drugs and disease targets, integrate an interaction network to analyze drug interactions with specific nodes in each network module, and investigate the interaction relationship between drugs and potential targets from a systematic perspective ( 5 , 6 ). Network pharmacology is highly suited for evaluating the numerous components, targets, and pathways of TCM due to its complex composition and multitarget therapeutic characteristics ( 7 , 8 ).…”

Section: Introductionmentioning

confidence: 99%

Network pharmacology and molecular docking analysis reveal insights into the molecular mechanism of shiliao decoction in the treatment of cancer-associated malnutrition

Long

Xue

et al. 2022

Front. Nutr.

View full text Add to dashboard Cite

PurposeShiliao Decoction (SLD) was developed for treatment and prevention of cancer-associated malnutrition (CAM) in China. In this study, we aim to discover SLD’s active compounds and demonstrate the mechanisms of SLD that combat CAM through network pharmacology and molecular docking techniques.MethodsAll components of SLD were retrieved from the pharmacology database of Traditional Chinese Medicine Systems Pharmacology (TCMSP). The GeneCards database and the Online Mendelian Inheritance in Man database (OMIM) were used to identify gene encoding target compounds, and Cytoscape was used to construct the drug compound–target network. The network of target protein-protein interactions (PPI) was constructed using the STRING database, while gene ontology (GO) functional terms and the Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathways associated with potential targets were analyzed using a program in R language (version 4.2.0). Core genes linked with survival and the tumor microenvironment were analyzed using the Kaplan–Meier plotter and TIMER 2.0 databases, respectively. Protein expression and transcriptome expression levels of core gene were viewed using the Human Protein Atlas (HPA) and the Cancer Genome Atlas (TCGA). A component-target-pathway (C-T-P) network was created using Cytoscape, and Autodock Vina software was used to verify the molecular docking of SLD components and key targets.ResultsThe assembled compound–target network primarily contained 134 compounds and 147 targets of the SLD associated with JUN, TP53, MAPK3, MAPK1, MAPK14, STAT3, AKT1, HSP90AA1, FOS, and MYC, which were identified as core targets by the PPI network. KEGG pathway analysis revealed pathways involved in lipid and atherosclerosis, the PI3K/Akt signaling pathway, and immune-related pathways among others. JUN is expressed at different levels in normal and cancerous tissues, it is closely associated with the recruitment of different immune cells and has been shown to have a significant impact on prognosis. The C-T-P network suggests that the active component of SLD is capable of regulating target genes affecting these related pathways. Finally, the reliability of the core targets was evaluated using molecular docking technology.ConclusionThis study revealed insights into SLD’s active components, potential targets, and possible molecular mechanisms, thereby demonstrating a potential method for examining the scientific basis and therapeutic mechanisms of TCM formulae.

show abstract

A new strategy for the rapid identification and validation of direct toxicity targets of psoralen-induced hepatotoxicity

Cited by 7 publications

References 95 publications

Emerging biotechnology applications in natural product and synthetic pharmaceutical analyses

Emerging biotechnology applications in natural product and synthetic pharmaceutical analyses

Network Pharmacology and Molecular Docking on the Molecular Mechanism of Jiawei-Huang Lian-Gan Jiang Decoction in the Treatment of Colorectal Adenomas

Network pharmacology and molecular docking analysis reveal insights into the molecular mechanism of shiliao decoction in the treatment of cancer-associated malnutrition

Contact Info

Product

Resources

About