IJCEMR
The Mechanism of Action of Huai-Hua Powder in the Treatment of Anal Fissures: A Study Based on Network Pharmacology and Molecular Docking Techniques
TOTAL VIEWS: 6393
Abstract
Objective: To analyze the mechanism of action of Huai Hua Powder in the treatment of anal fissure (AF) based on network pharmacology and molecular docking techniques. Methods: The effective chemical components and action targets of Huaihua Powder were searched by Traditional Chinese Medicine Database and Analysis Platform and Bioinformatics Analysis Tool for Molecular Mechanism of Traditional Chinese Medicine platform as well as the relevant literature on China Knowledge Network during 2009-2019. Targets of action were obtained from Pharmmapper and compound-target networks were constructed using Cytoscape 3.7.2 software. GeneCards and OMIM databases were used to search for AF-related genes, and the String online website was used to construct the protein-protein interaction network. Gene ontology function enrichment analysis (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis by DAVID database. AutoDock Vina was used for major molecular docking of compounds to key proteins was performed by Pymol and AutoDock Vinasoftware. Results: A total of 63 active ingredients, 25 intersecting targets between Huai Hua Powder and AF were obtained, KEGG pathway enrichment analysis yielded 37 entries, mainly including PI3K-AKT, VEGF, MAPK and other signaling pathways. The molecular docking results showed that 10 major compounds, including lonicerin, hinokiflavone and narirutin, showed good binding to nine key targets, including mitogen-activated protein kinase 1, epidermal factor growth receptor and endothelial-type nitric oxide synthase. Conclusion: Through network pharmacology and molecular docking found that Huaihua Powder can act on VEGF receptor, NOS3 and other targets through PI3K-AKT, VEGF, MAPK and other signaling pathways to improve local blood circulation, counteract inflammatory response, analgesia, and thus play a therapeutic effect role in AF.
References
[1] Sun, Z. H., Zhang, J. L., Cui, Z. Y., et al. (2019). A study on the epidemiology of common anorectal diseases in adults in Shanxi Province [J]. China Drugs & Clinics, 2019, 19(14): 2363-2365.
[2] Dai, H. L., Dong, C., Xu, L., et al. (2017). Research progress of anal fissures and their treatment methods [J]. China Prescription Drugs, 2017, 15(07): 20-21.
[3] Guo, J. P., Xia, Q., Deng, W. L., et al. (2020). Study on the mechanism of the action of Sophora flavescens in the treatment of ulcerative colitis with passing of bloody stool [J]. Modern Chinese Medicine, 2020, 40(05): 9-14+21.
[4] Sun, S. H.,Wang, X. L., Li, Z. F., et al. (2015). A brief study on the treatment of hemorrhagic anorectal diseases with Sophora pinnata [J]. Journal of Practical Chinese Medicine Internal Medicine, 2015, 29(12): 179-181.
[5] Ru, J. L., Li, P., Wang, J. N., et al. (2014). TCMSP: A database of systems pharmacology for drug discovery from herbal medicines. J Cheminformatics, 2014 Apr 16, 6(1): 13.
[6] Ahmed, S. S., Ramakrishnan, V. (2012). Systems biological approach of molecular descriptors conectivity: Optimal descriptors for oral bioavailability prediction [J]. PLoS One, 2012, 7(7): e40654.
[7] Mochizuki, M., Suzuki, S. D., Yanagisawa, K., et al. (2019). QEX: target-specific druglikeness. Liu Z, Guo F, Wang Y, et al. BATMAN-TCM: A Bioinformatics Analysis Tool for Molecular mechanism of Traditional Chinese Medicine. Sci Rep., 2016, 6: 21146. Filter enhances ligand-based virtual screening [J]. Mol Divers, 2019, 23(1): 11-18.
[8] Jia, J. J., Miao, M. S. (2014). Chemistry, pharmacology and clinical applications of Sophora japonica [J]. Journal of Traditional Chinese Medicine, 2014, 29(05): 716-717+745.
[9] Zhao, Y., Guo, J., Liu, T., et al. (2010). Pharmacological studies on the new haemostatic components of Sophora japonica after charcoal making [J]. Chinese Journal of Traditional Chinese Medicine, 2010, 35(17): 2346-2349.
[10] Du, H. X. (2013). Research progress on the active ingredients of Phellodendron sylvestris [J]. Guangdong Chemical Industry, 2013, 40(20): 150-151.
[11] Gong, B., Li, Q., Hu, X. H., et al. (2019). Research progress on chemical composition and pharmacological effects of Citrus aurantium [J]. Southern Forestry Science, 2019, 47(03): 40-45.
[12] Chen, H., Gao Meng, Luo, X. Q., et al. (2019). Principal component analysis and discriminant analysis of 12 active ingredients in Citrus aurantium herbs from different origins [J]. Chinese Herbal Medicine, 2019, 50(14): 3433-3437.
[13] Zhang, G. X. (2011). Chemical composition, pharmacological effects and clinical applications of Erythrina bark [J]. Journal of Shanxi Staff Medical College, 2011, 21(01): 57-58.
[14] Wang, X., Shen, Y. L., Wang, S. W., et al. (2017). PharmMapper 2017 update: A web server for potential drug target identification with a comprehensive target pharmacophore database. Nucleic Acids Res., 2017, 45, W356-W360.
[15] Morgat, A., Lombardot, T., Coudert, E., et al. (2019). UniProt Consortium. Enzyme annotation in UniProtKB using Rhea Bio-informatics, 36(6): 1896-1901.
[16] Huang, D. W., Sherman, B. T., Lempicki, R. A. (2009). Systematic and integrative analysis of large gene lists using DAVID Bioinformatics Resources. Nature Protoc., 2009, 4(1): 44-57.
[17] Zhang, X. M., Wang, Y. Y., Wang, H. J. (2020). Research progress of flavonoids in Chinese herbal medicines [J]. Guangdong Chemical Industry, 2020, 47(24): 55-56.
[18] Zhong, Y. K., Wu Di, Hua, X. D., et al. (2019). Advances in the research on the antibacterial effects of flavonoids [J]. China Food Additives, 2019, 30(08): 166-171.
[19] Li, C. X., Yang, Y. H., Leng, D. S., et al. (2019). Research progress on chemical composition and pharmacological effects of Citrus aurantium [J]. Journal of Liaoning University of Chinese Medicine, 2019, 21(02): 158-161.
[20] Liu, X. D., Cai, F., Liu, L., et al. (2015). MicroRNA-210 is involved in the regulation of postmenopausal osteoporosis through promotion of VEGF expression and osteoblast differentiation [J]. Biological Chemistry, 2015, 396(4).
[21] Liang, T., Qin, Y. M., Ding, H., et al. (2004). Anti-inflammatory effects of total flavonoids from Phellodendron chinensis [J]. Journal of Shenyang Pharmaceutical University, 2004(04): 301-303.
[22] Shi, J. T., Zhang, X. B., Zhang, K., et al. (2020). Research progress on the role of three subtypes of MAPK signaling pathways in the development of intervertebral disc degeneration [J]. Shandong Medicine, 2020, 60(33): 112-115.
How to cite this paper
The Mechanism of Action of Huai-Hua Powder in the Treatment of Anal Fissures: A Study Based on Network Pharmacology and Molecular Docking Techniques
How to cite this paper: Yang Liu, Yaping Cui, Yumiao Zhang, Guangwei Shi, Yalei Pan. (2021) The Mechanism of Action of Huai-Hua Powder in the Treatment of Anal Fissures: A Study Based on Network Pharmacology and Molecular Docking Techniques. International Journal of Clinical and Experimental Medicine Research, 5(4), 498-504.
DOI: http://dx.doi.org/10.26855/ijcemr.2021.10.012
More Articles
- Does Enjoyment in Life Improve the Lipid Profile of Caregivers?
- The Origins and Social Implications of COVID-19: The Need for a Critical Approach and Discussion from the Society
- The Mechanism of Action of Huai-Hua Powder in the Treatment of Anal Fissures: A Study Based on Network Pharmacology and Molecular Docking Techniques
- Pharmacogenomic Application in HER2-positive Breast Cancer
- The History and Application of “Ashi Points”
- In Shortly about Skin Pathology