Screening method for multi-target drugs and/or pharmaceutical combinations

A screening method and multi-target technology, applied in the field of biomedicine, can solve the problems of unpredictable pharmacokinetic response and increased number of combination tests, and achieve the effect of low screening cost, high efficiency and broad application prospects

Active Publication Date: 2015-10-07
HUAZHONG AGRI UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

On the one hand, as the number of combinations increases, the number of combination trials will also increase; on the other hand, there are potential drug-drug interactions and unpredictable pharmacokinetic responses among multiple ingredients

Method used

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  • Screening method for multi-target drugs and/or pharmaceutical combinations
  • Screening method for multi-target drugs and/or pharmaceutical combinations
  • Screening method for multi-target drugs and/or pharmaceutical combinations

Examples

Experimental program
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Embodiment 1

[0035] Example 1: Screening method of the present invention - multi-target drug repositioning for breast cancer: based on genome-wide association analysis

[0036] 1. Collect human successfully marketed or researched drugs and their targets

[0037] Find drug target databases (including DGIdb: http: / / dgidb.genome.wustl.edu / , DrugBank: http: / / www.drugbank.ca / and TTD: http: / / bidd.nus.edu.sg / group / ttd / ttd.asp) to obtain a batch of drug-ready targets and targets under research. In this experiment, DGIdb was used as the starting point to find a total of 1,180 targets with clear drug activity (whether the drug is an activator or an inhibitor to the target), and 2,780 drugs corresponding to the above targets.

[0038] 2. SNP information related to all targets in the screening step 1

[0039] Find the relevant SNP according to the gene corresponding to the target. There are two methods here: one is to find the SNP contained in the gene region according to the position of the gene ...

Embodiment 2

[0093] Example 2: Screening method of the present invention—screening and / or repositioning of breast cancer drug combinations: based on genome-wide association analysis and KEGG metabolic network.

[0094] Steps 1 to 4 of this embodiment are the same as in Embodiment 1, and the other steps are as follows:

[0095] 5. Use the KEGG metabolic network to enrich the associated "target-target" combination obtained in step 4, and screen the "target-target" combination that is in the same metabolic pathway and has an interactive effect on breast cancer

[0096] The pathway enrichment of the target was obtained through the online pathway analysis website: DAVID (http: / / david.abcc.ncifcrf.gov / ). In this example, only the "target-target" combinations that are in the same metabolic pathway after DAVID enrichment are selected, and the screening results are as follows: Among the 1,634 pairs of "target-target" combinations identified based on PLINK, 127 "target-target" combinations were scre...

Embodiment 3

[0107] Example 3: Screening method of the present invention—screening and / or repositioning of breast cancer drug combinations: based on genome-wide association analysis and Hotnet2 metabolic network.

[0108] Steps 1 to 4 of this embodiment are the same as in Embodiment 1, and the other steps are as follows:

[0109] 5. Use the HotNet2 metabolic network to enrich the associated "target-target" combination obtained in step 4, and screen the "target-target" combination that is in the same HotNet2 subnetwork and has an interactive effect on breast cancer

[0110] We only selected the "target-target" combinations in the same subnetwork, and among the 1,634 pairs of "target-target" combinations identified based on PLINK, one "target-target" combination (BRAF and PIK3CA) was screened and obtained in the same HotNet2 subnetwork. Network PI(3)K signaling; Among the 1,576 pairs of "target-target" combinations identified based on BOOST, one "target-target" combination (EGFR and ERBB4) w...

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Abstract

The invention discloses a screening method for multi-target drugs and / or pharmaceutical combinations, belonging to the field of biomedicine technology. According to the invention, the screening method comprises the steps of: (1) searching a drug target database, summarizing drug targets, understudied targets and drugs corresponding to the targets to obtain data of corresponding relations between the targets and the drugs; (2) screening association target-target combinations through a systemic genetics method; and (3) according to the data of corresponding relations between the targets and the drugs obtained in the step (1) and the association target-target combinations obtained in the step (2), screening multi-target drugs and / or pharmaceutical combinations. According to the invention, the screening method is low in cost and high in efficiency, and has a broad applying prospect in the field of drug re-positioning, development and design.

Description

technical field [0001] The invention belongs to the technical field of biomedicine, and in particular relates to a screening method for multi-target drugs and / or drug combinations. Background technique [0002] Drug research and development is a systematic project with long period, high cost and high risk. According to statistics, it takes 10-15 years for a new drug to go from conception to final marketing, and the research and development costs are as high as 800 million or more (DiMasi, J.A., Hansen, R.W., and Grabowski, H.G. (2003). The price of innovation: new estimates of drug development costs.J.Health Econ.22:151-185.), and this cost is still increasing year by year. However, such a huge investment has not been commensurately rewarded. In 1996, 53 new molecular drugs were approved by the FDA, but in 2007 this value was only 15, a record low (Hughes, B. (2008). 2007FDA drug approvals: a year of flux. Nat. Rev. Drug Discov 7:107–109; Editorial. (2008). Raising the ga...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/18G16B20/20G16B35/20G16B50/30
CPCC12Q1/6886C12Q2600/156G16H70/40G16B35/00G16C20/60G06F16/24575G16B35/20G16B50/30G16B20/20G16B20/00G16B50/00G01N33/15
Inventor 张红雨杨庆勇全源罗志辉朱丽达
Owner HUAZHONG AGRI UNIV
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