Method, system and device for establishing mechanism model of traditional Chinese medicine based on network pharmacology

A technology of network pharmacology and mechanism of action, applied in the field of establishment of potential mechanism of action model of traditional Chinese medicine, can solve problems such as difficult to find side effects, difficult to identify active ingredients and their functions, difficult to find therapeutic targets, etc.

Active Publication Date: 2022-02-18
SICHUAN UNIV
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Problems solved by technology

However, due to the lack of research methods to effectively analyze the relationship between diseases and traditional Chinese medicine, the current research on traditional Chinese medicine still faces many problems
For example: (1) Due to the complex etiology of the disease, it is difficult to find effective therapeutic targets
(2) Traditional Chinese medicine compound contains hundreds of chemical components, and these components can act on multiple targets, so it is difficult for us to identify the active components and their functions
(3) Due to combination restrictions, it is difficult for us to find a drug combination with better efficacy and less side effects

Method used

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  • Method, system and device for establishing mechanism model of traditional Chinese medicine based on network pharmacology
  • Method, system and device for establishing mechanism model of traditional Chinese medicine based on network pharmacology
  • Method, system and device for establishing mechanism model of traditional Chinese medicine based on network pharmacology

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Embodiment 1

[0055] In a specific embodiment, the specific technical solutions of the present invention can be described in detail through the following examples. The core of this application is a model method for establishing the interaction relationship between a specific drug ingredient and a specific gene to assist the use of such pharmacology, rather than a method for clinical disease treatment or diagnosis. Both are There is a significant difference.

[0056] In this example, combined with figure 1 , the technical solution of the present invention can be realized in the following ways:

[0057] (1) Gene target acquisition

[0058] Obtain the known chemical constituents of the three medicinal materials Brucea javanica, Curcuma, and Comfrey from the TCMIP database, and compare the structures of these chemical constituents with the known drugs in DrugBank using MedChem Studio, and retain the Tanimoto score ( Similarity comparison parameter) > 0.8 as the active ingredient, and at the ...

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Abstract

The invention provides a method, system and device for establishing a Chinese medicine action mechanism model based on network pharmacology. The method includes: obtaining the gene targets corresponding to the components of the traditional Chinese medicine, obtaining the target gene targets, taking the intersection of the gene targets corresponding to the components of the traditional Chinese medicine and the target gene targets to obtain a gene set, and constructing a protein interaction for the gene set Network, analyze the nodes in the protein interaction network to obtain key gene nodes, perform GO analysis and KEGG analysis on key gene nodes for further gene screening, and perform molecular docking on the proteins corresponding to Chinese medicine ingredients and core genes in the screening results , verify the binding ability, and obtain the target Chinese medicine ingredients. The scheme of the present invention can assist in efficient drug component analysis, simplifies the analysis process, reduces the complexity of the analysis algorithm, is convenient and quick, and has high accuracy.

Description

technical field [0001] The invention relates to a pharmacological mechanism research method, in particular to a method, system and corresponding device for establishing a potential mechanism model of traditional Chinese medicine combined with technologies such as network pharmacology, gene enrichment analysis, and molecular docking. Background technique [0002] Over the years, traditional Chinese medicine and its compound prescriptions have the advantages of good curative effect and low side effects, so they are used clinically to treat many complex diseases. However, due to the lack of research methods to effectively analyze the relationship between diseases and traditional Chinese medicine, the current research on traditional Chinese medicine still faces many problems. For example: (1) Due to the complex etiology of the disease, it is difficult to find effective therapeutic targets. (2) Traditional Chinese medicine compound contains hundreds of chemical components, and t...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16H20/90G16H70/40G16B15/30G16C20/50
CPCG16H20/90G16H70/40G16B15/30G16C20/50
Inventor 章乐张雷吕骥
Owner SICHUAN UNIV
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