A Bioinformatics Research on Novel Mechanism of Compound Kushen Injection for Treating Breast Cancer by Network Pharmacology and Molecular Docking Verification
Joint Authors
Wu, Jiarui
Liu, Shuyu
Hu, Xiaohong
Fan, Xiaotian
Jin, Ruiqi
Yang, Wenqian
Geng, Yifei
Source
Evidence-Based Complementary and Alternative Medicine
Issue
Vol. 2020, Issue 2020 (31 Dec. 2020), pp.1-14, 14 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2020-08-11
Country of Publication
Egypt
No. of Pages
14
Main Subjects
Abstract EN
Compound Kushen injection (CKI) has been extensively used in treating breast cancer (BC).
However, the molecular mechanism remains unclear.
In this study, 16 active compounds of CKI were obtained from 3 articles for target prediction.
Then, a compound-predicted target network and a compound-BC target network were conducted by Cytoscape 3.6.1.
The gene ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed on the DAVID database.
The binding energy between the key targets of CKI and the active compounds was studied by molecular docking.
As a result, 16 active compounds of CKI were identified, corresponding to 285 putative targets.
The key targets of CKI for BC are HSD11B1, DPP4, MMP9, CDK1, MMP2, PTGS2, and CA14.
The function enrichment analysis obtained 13 GO entries and 6 KEGG pathways, including bladder cancer, cancer pathways, chemical carcinogenesis, estrogen signaling pathway, TNF signaling pathway, and leukocyte transendothelial migration.
The result of molecular docking indicated that DPP4 had strong binding activity with matrine, alicyclic protein, and sophoridine, and MMP9 had strong binding activity with adenine and sophoridine.
In conclusion, the therapeutic effect of CKI on BC is based on the overall pharmacological effect formed by the combined effects of multiple components, multiple targets, and multiple pathways.
This study provides a theoretical basis for further experimental research in the future.
American Psychological Association (APA)
Liu, Shuyu& Hu, Xiaohong& Fan, Xiaotian& Jin, Ruiqi& Yang, Wenqian& Geng, Yifei…[et al.]. 2020. A Bioinformatics Research on Novel Mechanism of Compound Kushen Injection for Treating Breast Cancer by Network Pharmacology and Molecular Docking Verification. Evidence-Based Complementary and Alternative Medicine،Vol. 2020, no. 2020, pp.1-14.
https://search.emarefa.net/detail/BIM-1155401
Modern Language Association (MLA)
Liu, Shuyu…[et al.]. A Bioinformatics Research on Novel Mechanism of Compound Kushen Injection for Treating Breast Cancer by Network Pharmacology and Molecular Docking Verification. Evidence-Based Complementary and Alternative Medicine No. 2020 (2020), pp.1-14.
https://search.emarefa.net/detail/BIM-1155401
American Medical Association (AMA)
Liu, Shuyu& Hu, Xiaohong& Fan, Xiaotian& Jin, Ruiqi& Yang, Wenqian& Geng, Yifei…[et al.]. A Bioinformatics Research on Novel Mechanism of Compound Kushen Injection for Treating Breast Cancer by Network Pharmacology and Molecular Docking Verification. Evidence-Based Complementary and Alternative Medicine. 2020. Vol. 2020, no. 2020, pp.1-14.
https://search.emarefa.net/detail/BIM-1155401
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1155401