Mechanism of Qingkailing on influenza based on network pharmacology and molecular docking
10.12206/j.issn.1006-0111.202005077
- VernacularTitle:基于网络药理学与分子对接技术对清开灵干预病毒性感冒的作用机制研究
- Author:
Mengcheng CAI
1
;
Yiqun LIU
2
;
Chaoqin YU
2
;
Yongsheng JIN
3
Author Information
1. Basic Medicine School, Naval Medical University.
2. Changhai Hospital, Naval Medical University.
3. School of Pharmacy, Naval Medical University, Shanghai 200433, China.
- Keywords:
Qingkailing;
network pharmacology;
molecular docking;
antivirus
- From:
Journal of Pharmaceutical Practice
2021;39(3):193-202
- CountryChina
- Language:Chinese
-
Abstract:
Objective To explore the potential mechanism of Qingkailing (QKL) on influenza, and to provide a theoretical basis for the clinical application of QKL. Methods TCMSP, TCMID, and PubChem databases were used to search for the active ingredients and action targets of QKL. GeneCards database was used to search for the targets of influenza. The intersection method was used to obtain the targets related to the therapeutic effects of QKL. Cytoscape software was applied for the construction of active compounds-targets network map. Protein-protein interaction network was constructed by STRING database. Gene ontology functional enrichment analysis and KEGG pathway enrichment analysis were conducted by Bioconductor database and R software. Auto Dock Tools were used for molecular docking. Results Total 90 potential active components were identified from QKL with the corresponding 225 targets. PPI network analysis showed that there were 34 key targets intervening influenza by QKL. GO and KEGG showed that the mechanism of QKL intervention on influenza was related to anti-inflammatory and antiviral. The results of molecular docking showed that cholic acid, hyodeoxycholic acid and baicalin had affinity with RELA and JUN. Conclusion The active ingredients of QKL target on JUN, RELA, MAPK1, IL6 and AKT1 to regulate multiple signal pathways, and play an intervention role in influenza.
