Study on mechanism of Trillium tschonoskii Maxim in treatment of myocardial ischemia based on network pharmacology and molecular docking
- Author:
Yong-Heng ZHAO
1
;
Cheng-Gang LI
1
;
Zhen-Kai GE
1
;
Qiu-Yu XIE
1
;
Si-Qi LUAN
1
;
Xin-Cai HAO
1
;
Bai-Ling WANG
1
;
Yong-Heng ZHAO
2
;
Xin-Cai HAO
2
;
Bai-Ling WANG
2
;
Cheng-Gang LI
3
;
Xin-Cai HAO
4
;
Bai-Ling WANG
4
Author Information
- Publication Type:Journal Article
- Keywords: action mechanism; molecular doc¬king; myocardial ische-mia; network pharmacology; signaling pathway; Trillium tschonoskii Maxim.
- From: Chinese Pharmacological Bulletin 2022;38(6):912-919
- CountryChina
- Language:Chinese
- Abstract: Aim To reveal the aetion mechanism of Trillium tschonoskii Maxim (TTM) in the treatment of myoeardial ischemia ( MI) by using network pharma¬cology combined with molecular docking.Methods Compounds of TTM were detected and fished out from TCMID, TCM@TAIWAN , BATMAN-TCM database, and the literature data from PubMed , CNK1, and WAN- FANGD database.PharmMapper database was used to find the targets related to compounds, and DISGeNET, GeneCards, DrugBank and OMIM databases were used to find the targets related to Ml.The predictive targets of TTM in the treatment of Ml were obtained.Cytosca- ope 3.1.2 Software and String database were used to build compound-target network and PP1 network.Gene ontology ( GO ) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes ( KEGG ) pathway enrichment analysis were performed by utili¬zing the CludterProfiler Software package of RStudio software.The molecular docking was used for verifying the results of network analysis.Results The 10 active compounds of TTM were screened , and 13 core targets of Ml were predicted, such as ALB, EGFR, MAPK1 , CASP3,ESR1 ,etc.A total of 28 Ml-related signaling pathways were fished out.The results of molecular docking showed that the core active ingredients had good binding activity with the key targets.Conclusion TTM may play a role in the treatment of Ml through regulating multiple ingredients, multiple pathways, and multiple targets.
