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

A technology of network pharmacology and mechanism of action, applied in the field of establishing models of potential mechanisms of action of traditional Chinese medicine, can solve problems such as difficult to find therapeutic targets, difficult to find side effects, and small drug combinations.

Active Publication Date: 2020-09-01
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) Tra

Method used

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  • Method, system and device for establishing traditional Chinese medicine action mechanism model based on network pharmacology
  • Method, system and device for establishing traditional Chinese medicine action mechanism model based on network pharmacology
  • Method, system and device for establishing traditional Chinese medicine action mechanism model 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, a system and a device for establishing a traditional Chinese medicine action mechanism model based on network pharmacology. The method comprises the following steps: acquiring gene targets corresponding to various components of the traditional Chinese medicine; acquiring a target gene target; taking an intersection of the gene targets corresponding to the components of the traditional Chinese medicine and the target gene targets to obtain a gene set; constructing a protein interaction network for the gene set; analyzing nodes in the protein interaction networkto obtain key gene nodes; performing GO analysis and KEGG analysis on the key gene nodes for further gene screening; in the screening result, conducting molecular docking on the traditional Chinese medicine components and protein corresponding to the core gene, verifying the binding capacity, and obtaining the target traditional Chinese medicine components. According to the scheme, efficient drugcomponent analysis can be assisted, the analysis process is simplified, the complexity of an analysis algorithm is reduced, convenience and rapidness are achieved, and the accuracy is high.

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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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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