Material basis and mechanism of Chansu injection for COVID-19 treatment based on network pharmacology and molecular docking technology

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Evid Based Complément Alternat Med. October 11, 2021; 2021: 7697785. doi: 10.1155 / 2021/7697785. Electronic collection 2021.

ABSTRACT

OBJECTIVE: The clinical efficacy of Chansu injection for the treatment of COVID-19 has been confirmed. Its mechanism of action remains uncertain. We used network pharmacology and molecular docking technology to explore the potential material basis and mechanism of action of Chansu injection for COVID-19.

METHODS: The main components of Chansu injection were determined by HPLC. The PharmMapper, SwissTargetPrediction, SEA and TCMID databases were used to search for the active ingredients and therapeutic targets of Chansu injection, while the OMIM and GeneCards Suite databases were used to search for COVID-related targets. -19. The STRING database was used for the construction of protein-protein interaction networks (PPI) and topology analysis, while DAVID was used for the enrichment analyzes of the Gene Ontology (GO) and Kyoto pathway. Encyclopedia of Genes and Genomes (KEGG) primary targets. The main active compounds of the Chansu injection were docked to 3CL protease, ACE2, RdRp and spike protein.

RESULTS: The three Chansu injection compounds were identified by HPLC. A total of 236 drug-related targets and 16,611 disease-related targets were identified, and 77 common targets were determined by mapping. PPI mapping results revealed that 16 primary targets were obtained by topology analysis and screening. In addition, enrichment analyzes of the GO and KEGG pathways revealed that the PI3K and JAK-STAT signaling pathways are the main pathways. Molecular docking results suggest that all three Chansu injection components have high S protein binding energies.

CONCLUSIONS: The potential mechanism of Chansu injection for COVID-19 involves multiple targets and pathways, thus providing a scientific basis for its clinical application and further research.

PMID:34671410 | PMC:PMC8523246 | DO I:10.1155 / 2021/7697785


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