Mechanism of Jingfang Granule in treatment of coronavirus infection by biological information technology
10.7501/j.issn.0253-2670.2020.15.013
- VernacularTitle: 基于生物信息技术的荆防颗粒治疗冠状病毒感染疾病机制探析
- Author:
Wen-Lu CHEN
1
Author Information
1. The Second Affiliated Hospital of Guangzhou University of Chinese Medicine
- Publication Type:Journal Article
- Keywords:
Corona viruses;
Jingfang Granule;
Mechanism of action;
Molecular docking;
Network pharmacology
- From:
Chinese Traditional and Herbal Drugs
2020;51(15):3937-3951
- CountryChina
- Language:Chinese
-
Abstract:
Objective: To explore the mechanism of Jingfang Granule in treatment of corona virus infection through biological information technology based on network pharmacology and molecular docking. Methods: The databases of TCMIP and TCMSP were used to summarize the flavor and meridian tropism and active compounds of Jingfang Granule, and the potential targets of active compounds were searched by PubChem and SwissTargetPrediction. The corona virus targets were collected from the GeneCards database. And common targets were enriched and analyzed by DAVID database after the intersection of the compounds targets and the disease targets. Then the network of "TCM-Ingredients-Common targets" was established by Cytoscape 3.7.2, the main active components and key targets were screened for molecular docking. Results: Totally 139 active components of Jingfang Granule and 27 common targets were obtained. GO enrichment analysis and KEGG enrichment analysis found that the pathways in cancer, MAPK signaling pathway, PI3K-Akt signaling pathway, TNF signaling pathway were the main pathways of Jingfang Granule in treatment of corona virus infection. The network of "TCM-Ingredients-Common targets" was successfully constructed, and results of molecular docking showed that the main components in this network such as β-sitosterol, cerevisterol, isorhamnetin, hesperetin, and luteolin etc., have good affinity with key targets of VEGFA, IL6, TNF, PPARγ, APP, ACE2, and SARS-CoV-2 3CL hydrolase. Conclusion: Jingfang Granule treats corona virus infectious diseases through the compatibility of multiple traditional Chinese medicine. Its resistance to corona virus infection may be through the β-sitosterol, cerevisterol, isorhamnetin, hesperetin, and luteolin act on the VEGFA, IL6, TNF, PPARγ, APP and other targets, and then affects the pathways in cancer, MAPK signal pathway, PI3K-Akt signal pathway, TNF signal pathways to achieve.
