Abstract
Objective: ´Three formulas and three medicines,’ namely, Jinhua Qinggan Granule, Lianhua Qingwen Capsule, Xuebijing Injection, Qingfei Paidu Decoction, HuaShi BaiDu Formula, and XuanFei BaiDu Granule, were proven to be effective for coronavirus disease 2019 (COVID-19) treatment. The present study aimed to identify the active chemical constituents of this traditional Chinese medicine (TCM) and investigate their mechanisms through interleukin-6 (IL-6) integrating network pharmacological approaches.Methods: We collected the compounds from all herbal ingredients of the previously mentioned TCM, but those that could down-regulate IL-6 were screened through the network pharmacology approach. Then, we modeled molecular docking to evaluate the binding affinity between compounds and IL-6. Furthermore, we analyzed the biological processes and pathways of compounds. Finally, we screened out the core genes of compounds through the construction of the protein–protein interaction network and the excavation of gene clusters of compounds.Results: The network pharmacology research showed that TCM could decrease IL-6 using several compounds, such as quercetin, ursolic acid, luteolin, and rutin. Molecular docking results showed that the molecular binding affinity with IL-6 of all compounds except γ-aminobutyric acid was < −5.0 kJ/mol, indicating the potential of numerous active compounds in TCM to directly interact with IL-6, leading to an anti-inflammation effect. Finally, Cytoscape 3.7.2 was used to topologize the biological processes and pathways of compounds, revealing potential mechanisms for COVID-19 treatment.Conclusion: These results indicated the positive effect of TCM on the prevention and rehabilitation of COVID-19 in at-risk people. Quercetin, ursolic acid, luteolin, and rutin could inhibit COVID-19 by down-regulating IL-6.
Highlights
In December 2019, in Wuhan, Hubei Province, China, the Chinese Center for Disease Control and Prevention identified a highly contagious novel coronavirus (SARS-CoV-2) [1]
The present study found that cytokine release syndrome (CRS) caused by IL-6 was common in COVID-19 patients and closely associated with ARDS [8]
Active compounds that interact with IL-6 were retrieved from the TCMSP database, and we identified and confirmed those that could down-regulate IL-6
Summary
In December 2019, in Wuhan, Hubei Province, China, the Chinese Center for Disease Control and Prevention identified a highly contagious novel coronavirus (SARS-CoV-2) [1]. One of central challenges for COVID-19 treatment is the myriad of proinflammatory cytokines released during the disease progression, known as a cytokine release syndrome (CRS) [2]. Traditional Chinese medicine (TCM) has been proven effective for COVID-19 treatment [11,12,13]. The National Administration of TCM recommended ‘three formulas and three medicines’, namely, Jinhua Qinggan Granule, Lianhua Qingwen Capsule, Xuebijing Injection, Qingfei Paidu Decoction, HuaShi BaiDu Formula, and XuanFeiBaiDu Granule [14]. An empirical study from Wuhan showed that Qingfei Paidu decoction contributed to the recovery of various disease progresses in COVID-19 patients [17]. Ursolic acid, Luteolin, Rutin, and so on could be found in medicines and formulas. Ursolic acid, Luteolin, and Rutin were the most frequently used compounds in these medicines and formulas. Our research aimed to systematically investigate the active components of ‘three formulas and three medicines’ for COVID-19 treatment and the mechanism based on IL-6 integrating network pharmacological methods
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