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Target PPIs drug property prediction method and device based on protein interaction network

A technology of protein interaction and prediction method, applied in the field of bioinformatics, to achieve the effect of calculation results conforming, reducing false positives, and eliminating false positive interactions

Active Publication Date: 2019-12-06
上海源兹生物科技有限公司
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Problems solved by technology

[0004] In the previous studies on drug-targeted PPIs, most of the targeted PPIs were randomly selected by researchers according to their own interests, and there were few studies aimed at discovering or selecting target PPIs based on the entire PPI network level

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  • Target PPIs drug property prediction method and device based on protein interaction network
  • Target PPIs drug property prediction method and device based on protein interaction network
  • Target PPIs drug property prediction method and device based on protein interaction network

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Embodiment Construction

[0038] The following describes the implementation of the present invention through specific specific examples. Those skilled in the art can easily understand other advantages and effects of the present invention from the content disclosed in this specification. The present invention can also be implemented or applied through other different specific embodiments, and various details in this specification can also be modified or changed based on different viewpoints and applications without departing from the spirit of the present invention.

[0039] In addition, it should be understood that the one or more method steps mentioned in the present invention does not exclude that other method steps may exist before and after the combined steps or other method steps may be inserted between these explicitly mentioned steps, unless otherwise stated. There are instructions; it should also be understood that the combination connection relationship between one or more steps mentioned in the p...

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Abstract

The invention provides a target PPIs drug property prediction method based on a protein interaction network. The method at least comprises the following steps: S1, detecting the interaction relationship of interaction protein structural domains in the PPI network; S2, detecting a drug small molecule binding pocket on the surface of interaction protein in the PPI network; S3, obtaining a GO function similarity score of the interactive protein in the PPI network; S4, screening out PPIs meeting the following conditions at the same time to serve as drug therapy targets: protein interaction relationship pairs have structural domain interaction; in the protein interaction relationship pair, at least one protein surface has a small molecule drug binding pocket; at least two of the GO function categories of the interaction proteins of the protein interaction relationship pair have significant similarity, and the GO function categories comprise GO BP, GO MF and GO CC. According to the method, three strict mutually independent standards are adopted to comprehensively explore and discover the target PPI, false positive interaction is systematically eliminated, more reliable PPIs are selectedas drug targets, and the calculation result better conforms to objective reality.

Description

Technical field [0001] The invention relates to the field of bioinformatics, in particular to a method and device for predicting the drugability of target PPIs based on a protein interaction network. Background technique [0002] Since the completion of the human genome sequencing project, various computer methods have been proposed to evaluate the drugability of all human proteins that have not been targeted by drugs, and to discover new drug target proteins. These methods use "omics" data of known target protein functions, ligand-related and physicochemical properties. Proteins that have enzyme activity and participate in cell signal transduction are popular targets for new drug development. Based on the important role of enzyme activity in signal transmission, finding inhibitors or activators specific to enzyme activity has become a research hotspot in new drug development. Batches of very effective drugs or drug leads have emerged. However, since enzyme activity is involved...

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Application Information

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IPC IPC(8): G16B15/30G16B20/30G16B25/10
CPCG16B15/30G16B20/30G16B25/10
Inventor 桑运霞左冰云阚海亮宋青芳
Owner 上海源兹生物科技有限公司
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