Article http://dx.doi.org/10.26855/ijcemr.2021.10.012

The Mechanism of Action of Huai-Hua Powder in the Treatment of Anal Fissures: A Study Based on Network Pharmacology and Molecular Docking Techniques


Yang Liu1, Yaping Cui2, Yumiao Zhang1, Guangwei Shi3, Yalei Pan4,*

1Department of Traditional Chinese Medicine, Shaanxi University of Chinese Medicine, Xianyang, Shaanxi, 712046, China.

2Affiliated Hospital of Shaanxi University of Traditional Chinese Medicine, Xianyang, Shaanxi, 712000, China.

3Jiuquan Hospital of Traditional Chinese Medicine, Jiuquan, Gansu, 735000, China.

4State Key Laboratory of Research & Development of Characteristic Qin Medicine Resources (Cultivation), Co-construction Collaborative Innovation Center for Chinese Medicine Resources Industrialization by Shaanxi & Education Ministry, Shaanxi University of Chinese Medicine, Xianyang, Shaanxi, 712083, China.

*Corresponding author: Yalei Pan

Published: October 11,2021


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.


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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 TechniquesInternational Journal of Clinical and Experimental Medicine Research5(4), 498-504.

DOI: http://dx.doi.org/10.26855/ijcemr.2021.10.012