Exploration on Shufeng Jiedu Capsule for Treatment of COVID-19 Based on Network Pharmacology and Molecular Docking
- 1 Department of Pharmacy, The Affiliated Hospital of Chengde Medical College, Chengde, China
- 2 Department of Pharmacy, The Affiliated Hospital of Chengde Medical College, Chengde, China
- 3 Department of Pharmacy, The Affiliated Hospital of Chengde Medical College, Chengde, China
- 4 Department of Pharmacy, The Affiliated Hospital of Chengde Medical College, Chengde, China
- 5 Department of Pharmacy, The Affiliated Hospital of Chengde Medical College, Chengde, China
- 6 Department of Pharmacy, The Affiliated Hospital of Chengde Medical College, Chengde, China
Abstract
The paper is proposed to explore the potential effects of Shufeng Jiedu Capsule against COVID-19. The ingredients and targets of Shufeng Jiedu Capsule were collected by the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), and the gene names of potential targets were extracted by UniProtKB. Then we did protein-protein interaction networks functional enrichment analysis by the STRING platform, reconstructed drug - target pathways and networks to predict the likely protein targets of the capsule against COVID-19 with software Cytoscape 3.6.1, and carried out GO enrichment analysis and KEGG analysis with R 5.3.2 software. At last we validated our predictions on molecular docking. The results suggested that Shufeng Jiedu Capsule contained 155 ingredients and 237 targets, including 26 main active ingredients and 45 key targets. There were 2334 biological processes (BP), 103 cell composition (CC) and 198 molecular functions (MF) in GO Enrichment Analysis, and 177 pathways in the KEGG analysis. The molecular docking analysis showed that binding energy for 26 main active ingredients ranged from - 32.21 to - 25.94 kJ · mol -1 , and the main targets bind to SARS-CoV-2 3CL hydrolase by acting on CASP9, PRKCA, RELA and others. Our study suggested that Shufeng Jiedu Capsule ha s potential therapeutic effects on COVID-19.
- Sohrabi, C., Alsafi, Z., O’Neill, N., et al. (2020) World Health Organization Declares Global Emergency: A Review of the 2019 Novel Coronavirus (COVID-19) [published online ahead of print, 2020 Feb 26]. International Journal of Surgery, 77, 217. https://doi.org/10.1016/j.ijsu.2020.03.036
- Ma, J.J., Chen, M. and Wang, Y.G. (2020) Novel Coronavirus (2019-NCOV) Syndrome: A Review of TCM Syndrome Treatment. Beijing Journal of Traditional Chinese Medicine, 39, 95-101.
- Sun, Z.T., An, X., Xiao, W., et al. (2020) Discussion on Differentiation and Treatment of COVID-19 by Stages. Journal of Shaanxi University of Chinese Medicine. http://kns.cnki.net/kcms/detail/61.1501.R.20200211.1318.002.html
- http://www.gov.cn/zhengce/zhengceku/2020-01/23/content_5471832.htm
- http://www.gov.cn/zhengce/zhengceku/2020-01/28/content_5472673.htm
- http://www.gov.cn/zhengce/zhengceku/2020-02/05/content_5474791.htm
- http://www.gov.cn/zhengce/zhengceku/2020-02/19/content_5480948.htm
- Lv, W.W., Zhu, T.N., Qiu, H., et al. (2013) Pharmacodynamic Study on Antiviral and Antibacterial Effects of Shufeng Jiedu Capsules in Vitro. Traditional Chinese Drug Research and Clinical Pharmacology, 24, 234-238.
- Xu, Y.L., Xue, Y.L., Zhang, H.H., et al. (2015) Clinical Observation on Treatment of Acute Upper Respiratory Infection of Wind-Heat Syndrome with Shufeng Jiedu Capsules: A Randomize-Controlled Double-Blind Test. Journal of Traditional Chinese Medicine, 56, 676-679.
- Liu, R., Li, X.L., Wang, L.Y., et al. (2018) Meta-Analysis and GRADE Assessment of Shufeng Jiedu Capsule Combined with Antibiotics in Treating Community Acquired Pneumonia. Journal of Traditional Chinese Medicine, 59, 1656-1660.
- Zhang, B. and Zhang, W. (2020) Clinical Effect of Shufeng Jiedu Capsules for Acute Upper Respiratory Tract Infection and Its Effect on Inflammatory Factors. Journal of New Chinese Medicine, 52, 50-53.
- Xiang, Y. and Lv, W.L. (2020) Study on the Mechanism of Xue’s Wuye Lugen Decoction Tea Drink on the Prevention and Control of COVID-19 Based on Network Pharmacology and Molecular Docking. Journal of Hubei University of Chinese Medicine. http://kns.cnki.net/kcms/detail/42.1844.R.20200303.1940.002.html
- Yao, Y.X., He, Z.X., Liu, X.F., et al. (2019) Potential Material Basis of Kangbingdu Granules for Treatment of Coronavirus Disease 2019 (COVID-19) Based on Network Pharmacology and Molecular Docking Technology. Chinese Traditional and Herbal Drugs, 51, 1386-1396.