Method and system for predicting protein interaction target point of drug

Abstract

The invention relates to a method and a system for predicting a protein interaction target point of a drug. The method comprises: 1) collecting a human protein interaction network and single protein target point data of the drug, and constructing an interactive protein target point data set of the drug; 2) obtaining description data of the drug and proteins; 3) constructing a bigraph for representing an interactive relationship between the drug and a protein pair, constructing a similar matrix for representing drug similarity and protein pair similarity, establishing a kernel function for correlating the similar matrix of the drug and the protein pair, and establishing a prediction model through a machine learning algorithm; and 4) performing independent set testing by utilizing unknown drug and interactive protein pair, and predicting a possibly existent unknown drug protein interaction target point, and verifying a prediction result through database and document retrieval. According to the method and the system, the search space of the drug target point can be expanded and the more specific drug protein interaction target point with the best classification performance can be obtained.

Description

Technical field [0001] The invention belongs to the technical field of biotechnology and information technology, and specifically relates to a method and system for predicting protein interaction targets of drugs. Background technique [0002] Systems biology emphasizes the important role of the synergy of biomolecules in determining the phenotype at the system level. Driven by this concept, a huge amount of interaction data is generated. A typical example is protein interaction data generated by yeast two-hybrid experiments and mass spectrometry experiments. Interacting protein complexes are considered to be the main implementers of biological processes in living cells, and their functions are greater than the simple addition of individual proteins. They are the main unit of action after drugs enter living cells. Compared with acting on a single protein, a drug acting on an interacting protein complex will produce fewer side effects and can greatly broaden the search space for ...

AI Technical Summary

Problems solved by technology

In addition, existing methods strongly rely on structural information of protein complexes, which are limited to small-scale studies

From a practical point of view, the existing technology also fails to form a computational system for the detection, modeling and validation of drug-protein interaction targets

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