Article http://dx.doi.org/10.26855/ijcemr.2021.10.008

Based on Network Pharmacology and Molecular Docking Technology, the Mechanism of Folium Sennae, Aloe Combined with Panax Quinquefolium in Treating Functional Constipation Was Investigated


Yanrong Zhan1, Yaping Cui2,*, Yang Liu1, Jiyun Wu1, Yan Ou1, Hua Jiang2

1Shaanxi University of Chinese Medicine, Xianyang, Shaanxi 712000, China.

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

*Corresponding author: Yaping Cui

Published: September 28,2021


Objective: To explore the mechanism of folium sennae, aloe combined with panax quinquefolium in treating functional constipation (FC) based on network pharmacology and molecular docking method. Methods: Retrieval of all chemical components and action targets of folium sennae, aloe combined with panax quinquefolium using Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (tcmsp). Relevant targets for functional constipation were accessed through Gencards, OMIM database, and first-line Western drug targets for the treatment of FC were searched through the drugbank database as a supplement. The STRING data platform was used to construct the interaction network of potential target proteins. Meanwhile, GO (gene ontology) enrichment analysis and KEGG (Kyoto Encyclopedia of Genes and Genomes) signaling pathway data were obtained, and the mechanism of action was analyzed and predicted. The PPI network topology was analyzed by Cytoscape 3.8.0 software, and the network diagram of “component-target-pathway” of FC in the three-drug combination treatment was constructed. Autodock Vina was used for molecular docking to further verify the accuracy of network pharmacological analysis of folium sennae, aloe combined with panax quinquefolium in the treatment of functional constipation. Results: The core active compounds of folium sennae, aloe combined with panax quinquefolium for the treatment of functional constipation are quercetin, kaempferol, β-Carotene and ginsenoside F2, and the core targets include PTGS2, MAPK1, Jun, VEGFA,IL6, etc. KEGG pathway enrichment analysis showed that the key targets of  folium sennae, aloe combined with panax quinquefolium in the treatment of FC were mainly enriched in TNF signaling pathway, IL-17 signaling pathway, VEGF signaling pathway, MAPK signaling pathway, PI3K-Akt signaling pathway, etc. Molecular docking results verified that the average value of binding energy for each compound docking to the core target was less than -5kcal/mol with a good binding activity. Conclusion: This study preliminarily revealed the synergistic effect of panax quinquefolium combined with folium sennae and aloe in the treatment of functional constipation, and also showed that the combination use of three drugs have the characteristics of multi-component, multi-target, and multi pathway, which laid a foundation for further study of its mechanism of action.


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How to cite this paper

Based on Network Pharmacology and Molecular Docking Technology, the Mechanism of Folium Sennae, Aloe Combined with Panax Quinquefolium in Treating Functional Constipation Was Investigated

How to cite this paper: Yanrong Zhan, Yaping Cui, Yang Liu, Jiyun Wu, Yan Ou, Hua Jiang. (2021) Based on Network Pharmacology and Molecular Docking Technology, the Mechanism of Folium Sennae, Aloe Combined with Panax Quinquefolium in Treating Functional Constipation Was InvestigatedInternational Journal of Clinical and Experimental Medicine Research5(4), 466-479.

DOI: http://dx.doi.org/10.26855/ijcemr.2021.10.008