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Method for exploring new indication of drug

A new indication and drug technology, applied in the field of bioinformatics, can solve problems such as low success rate, negative impact of development projects, high cost investment, etc., and achieve the effect of saving manpower, reducing research and development risks, and rational use

Active Publication Date: 2017-12-01
王忠 +1
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

New drug research and development has a long cycle, strict conditions, and very high cost input. Any error or accident in any link may have a significant negative impact on the development project. Therefore, new drug research and development has great uncertainty and risk. It takes 10-17 years from idea determination to drug launch, and the success rate is less than 10%

Method used

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  • Method for exploring new indication of drug
  • Method for exploring new indication of drug
  • Method for exploring new indication of drug

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0059] Example 1 On the basis of Sorafenib's existing commonly used treatments for renal cell carcinoma and hepatocellular carcinoma, explore its new indications through network pharmacology methods

[0060] Enter the name of the drug Sorafenib into the CTD (Comparative Toxicogenomics Database-http: / / ctdbase.org / ) database to find the related genes. A total of 148 were found, see Table 2.

[0061] Table 2. Sorafenib-associated genes found in CTD

[0062]

[0063]

[0064] After the genes are mapped and extracted from the protein-protein interactions of related genes through the STRING database platform, the protein-protein interaction network of Sorafenib-related proteins is obtained, which contains 133 nodes and 1040 edges ( figure 2 ).

[0065] The MCODE method (cytoscape3.0 version) was used to identify the modules of the interaction network, and the parameters were set as Degree Cutoff: 2; Node Score Cutoff: 0.2; K-Core: 2; Max Depth: 100. 8 modules are obtaine...

Embodiment 2

[0082] Example 2 On the basis of the existing commonly used oral hypoglycemic agents of acarbose (Acarbose), its new indications were explored through the network pharmacology method.

[0083] Enter the drug Acarbose (Acarbose) name into the CTD (Comparative Toxicogenomics Database-http: / / ctdbase.org / ) database to find the related genes. A total of 14 related genes were obtained, as shown in Table 6.

[0084] Table 6. Acarbose-related genes found in CTD

[0085]

[0086] After the gene is mapped by the STRING database platform, the protein of the related protein and its first-order neighbor interaction are extracted, and the interaction network of the protein of the acarbose-related protein and its first-order neighbor is obtained, which contains 507 nodes and 5911 edges ( Image 6 ), where the black nodes are acarbose-related proteins, and the white nodes are protein-related first-order neighbors.

[0087] The MCODE method (cytoscape3.0 version) was used to identify th...

Embodiment 3

[0106] Example 3 On the basis of axitinib (axitinib), which is commonly used in the treatment of kidney cancer, its new indications are explored through network pharmacology methods.

[0107] Enter the name of the drug axitinib into the CTD (Comparative Toxicogenomics Database-http: / / ctdbase.org / ) database to search for related genes. A total of 7 were found, see Table 11.

[0108] Table 11. Axitinib-related genes found in CTD

[0109] Axitinib

Gene

VEGFA FLT1 FLT4 KDR NOS3 PAK1 THBS1

[0110] After the genes are mapped and extracted from the protein-protein interactions of related proteins by the STRING database platform, the protein-protein interaction network of axitinib-related proteins is obtained, which contains 7 nodes and 17 edges ( Figure 10 ).

[0111] DAVID software was used to perform functional enrichment analysis of the interaction network from the perspective of KEGG pathways, and the results of P<0.01 were retained, and a tota...

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Abstract

The invention provides a method of exploring a new indication of a drug. The method comprises the steps of searching, based on a drug name, drug-related molecules (genes or proteins) in a database; building an interaction network of the drug-related molecules (genes or proteins) or the drug-related molecules (genes or proteins) and first-order neighbors thereof; performing module identification on the interaction network, building a weighted or unweighted module interaction network, and performing key module identification so as to analyze functions, or directly performing function analysis of the drug-related molecules (genes or proteins) on the interaction network; and comparing a function analysis result with a known indication in a specification of the drug so as to obtain the new indication of the drug. The method uses a network pharmacology method and starts with characteristics of multiple targets and multiple paths of the drug go explore the new indication of the drug in multiple aspects such as drug-related molecules, modules and network. Compared with research of a brand-new drug, the method saves much manpower, financial and time costs, lowers the research risks, and uses existing drug resources more reasonably.

Description

technical field [0001] The invention belongs to the technical field of biological information. Specifically, the present invention relates to methods for exploring new indications for drugs through network pharmacology methods. Background technique [0002] The rapid development of bio-omics technology allows us to further comprehensively understand complex diseases and develop new drugs. Facing the massive data generated by the complexity of biological systems in the body, network analysis, as a new tool, can integrate drugs, targets and diseases complex relationship between. In 2007, Hopkins first proposed and systematically elaborated the concept of network pharmacology, which integrated the drug action network and the biological network of the body, based on the "disease-gene-target-drug" interaction network, and analyzed the relationship between drugs and specific drugs in the network. The interaction relationship between nodes or modules, systematically and comprehen...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/00G06F19/16G06F19/24
CPCG16B15/00G16B40/00G16C20/50
Inventor 张莹莹王忠
Owner 王忠
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