Mechanism of Olibanum-Myrrha in treatment of rheumatoid arthritis based on network pharmacology and molecular docking.
10.19540/j.cnki.cjcmm.20201126.401
- Author:
Jia-Shang LI
1
;
Zi-Zhang ZHAO
1
;
Xiao-Dong MIAO
1
;
Shu-Lan SU
1
;
Er-Xin SHANG
1
;
Da-Wei QIAN
1
;
Jin-Ao DUAN
1
Author Information
1. Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization,National and Local Collaborative Engineering Center of Chinese Medicinal Resources Industrialization and Formulae Innovative Medicine,Jiangsu Key Laboratory for High Technology Research of Traditional Chinese Medicine Formulae,Nanjing University of Chinese Medicine Nanjing 210023,China.
- Publication Type:Journal Article
- Keywords:
Myrrha;
Olibanum;
mechanism;
molecular docking;
network pharmacology;
rheumatoid arthritis
- MeSH:
Arthritis, Rheumatoid/genetics*;
Drugs, Chinese Herbal;
Frankincense;
Humans;
Medicine, Chinese Traditional;
Molecular Docking Simulation
- From:
China Journal of Chinese Materia Medica
2021;46(10):2371-2379
- CountryChina
- Language:Chinese
-
Abstract:
In this paper, network pharmacology method and molecular docking technique were used to investigate the target genes of Olibanum and Myrrha compatibility and the possible mechanism of action in the treatment of rheumatoid arthritis(RA). Our team obtained the main active components of Olibanum-Myrrha based on literatures study, relevant traditional Chinese medicine systematic pharmacological databases and literature retrieval, and made target prediction of the active components through SwissTargetPrediction database. At the same time, RA-related targets were collected through DrugBank, GeneCards and Therapeutic Target Database(TDD) databases; and VENNY 2.1 was use to collect intersection targets to map common targets of drug and disease of Venn diagram online. The team used STRING database to construct PPI protein interaction network diagram, and screen out core targets according to the size of the interaction, and Cytoscape 3.6.0 software was used to construct network models of "traditional Chinese medicine-component-target" "traditional Chinese medicine-component-target-disease" and core target interaction network model. The intersection target was analyzed by using DAVID 6.8 online database for GO function analysis and KEGG pathway enrichment analysis, and Pathon was used to visualization. AutoDock Vina and Pymol were used to connect the core active components with the core targets. Sixteen active components of Olibanum-Myrrha pairs were found and collected in the laboratory, and 320 relevant potential targets, 468 RA-related targets and 62 intersection targets were obtained through the Venn diagram. It mainly acted on multiple targets, such as IL6, TNF, IL1 B and MAPK1, involving TNF signaling pathway and Toll-like receptor signaling pathway in RA treatment. Finally, in this study, possible targets and signaling pathways of Olibanum-Myrrha compatibility therapy for RA were discussed, and molecular docking between core targets and core active components was conducted, which could provide scientific basis for the study on the mechanism of Olibanum-Myrrha compatibility.
