Abstract
Purpose The clinical efficacy of Chansu injection for COVID-19 treatment has been confirmed. Its mechanism of action remains unclear. 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 using HPLC. The PharmMapper, SwissTargetPrediction, SEA, and TCMID databases were used to screen for the active ingredients and therapeutic targets of Chansu injection, while the OMIM and GeneCards Suite databases were used to search for COVID-19-related targets. The STRING database was used for protein-protein interaction (PPI) network construction and topological analysis, while DAVID was used for Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses of the core targets. The main active compounds of Chansu injection were docked with 3CL protease, ACE2, RdRp, and spike protein. Results The three Chansu injection compounds were identified using HPLC. A total of 236 drug-related targets and 16,611 disease-related targets were identified, and 77 common targets were determined through mapping. The PPI mapping results revealed that 16 core targets were obtained through topological analysis and screening. Furthermore, GO and KEGG pathway enrichment analyses revealed that the PI3K and JAK-STAT signaling pathways are the major pathways. The molecular docking results suggest that the three Chansu injection components have high binding energies to the S protein. Conclusions The potential mechanism of Chansu injection for COVID-19 involves multiple targets and pathways, thereby providing a scientific basis for its clinical application and further research.
Highlights
Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) emerged in China in November 2019 [1]. is disease has become a global pandemic with severe health issues around the world [2, 3]. is is the third pandemic that has occurred during the last 20 years of the 21st century, the first of which was the SARS pandemic in 2003, and the second, Middle East respiratory syndrome (MERS) pandemic in 2015 [4,5,6]
To prepare the control solution, an appropriate amount of bufalin, resibufogenin, and cinobufagin was calibrated precisely and 1.6 μg each of bufalin, resibufogenin, and cinobufagin were added to 1 mL of 50% acetonitrile aqueous solutions. e control solution (20–50 μL) and 50 μL of the test samples were loaded into high-performance liquid chromatography (HPLC) equipment, and the calculations were derived with an external method
The network centralization, heterogeneity, and density were 0.199, 1.096, and 0.032, respectively. is suggests an important link between Chansu injection and COVID-19 and motivated us to proceed to the step in our analysis
Summary
Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) emerged in China in November 2019 [1]. is disease has become a global pandemic with severe health issues around the world [2, 3]. is is the third pandemic that has occurred during the last 20 years of the 21st century, the first of which was the SARS pandemic in 2003, and the second, Middle East respiratory syndrome (MERS) pandemic in 2015 [4,5,6]. Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) emerged in China in November 2019 [1]. Worldometers real-time statistics show that as of February 1, 2021, SARS-CoV-2 has caused more than 100 million infections and more than 2.22 million deaths. As a result, it is considered a public health emergency of international concern [7,8,9]. SARS-CoV-2 is a singlestranded RNA with the largest RNA virus [11, 12] It can trigger an antiviral immune response upon entry into organisms, causing slight or moderate respiratory symptoms
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