Food and Fermentation Industries >

2024 , Vol. 50 >Issue 14: 69 - 77

DOI: https://doi.org/10.13995/j.cnki.11-1802/ts.036272

Network pharmacology and molecular docking reveal hypoglycemic mechanism of aloe-emodin

  • PAN Ruoyao ,
  • REN Guoyan ,
  • MA Fuli
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  • 1(College of Food and Bioengineering, Henan University of Science and Technology, Luoyang 471000, China)
    2(Henan Engineering Research Center of Food Material, Luoyang 471000, China)
    3(National Demonstration Center for Experimental Food Processing and Safety Education, Luoyang 471000, China)

Received date: 2023-05-28

  Revised date: 2023-07-13

  Online published: 2024-08-02

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Abstract

The mechanism of action of aloe-emodin for improving type Ⅱ diabetes was investigated by network pharmacology combined with molecular docking technique.The potential targets of aloe-emodin and the related targets for improving the treatment of type Ⅱ diabetes were screened by using the database platform, and the potential targets of aloe-emodin for improving type Ⅱ diabetes were obtained by intersecting the two.The protein interaction network between the common targets was constructed, and the GO function annotation and KEGG pathway enrichment analysis were performed for the common targets.By screening the main pathways and constructing a network diagram of “aloe-emodin-type Ⅱ diabetes-pathway”, this study visualized the linkage between aloe emodin and the pathways and the targets enriched by each pathway and studied the binding mechanism between aloe-emodin and the key targets through molecular docking.Results showed that aloe-emodin had 63 targets for improving the treatment of type Ⅱ diabetes, and 22 core targets, including AKT1, PIK3CA, HRAS, and MAPK8, were identified based on the protein interaction network, which was mainly enriched in PI3K/AKT and insulin resistance signaling pathways.Aloe-emodin bound to the targets mainly through intermolecular forces such as hydrogen bonding, van der Waals forces, and π-π interactions, thus regulating the expression of the targets and improving type Ⅱ diabetes.

Key words： aloe-emodin; type 2 diabetes; network pharmacology; molecular docking

Cite this article

PAN Ruoyao , REN Guoyan , MA Fuli . Network pharmacology and molecular docking reveal hypoglycemic mechanism of aloe-emodin[J]. Food and Fermentation Industries, 2024 , 50(14) : 69 -77 . DOI: 10.13995/j.cnki.11-1802/ts.036272

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