Related Experiment Video
Updated: Nov 12, 2025
Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
Published on: February 23, 2024
Large-scale Prediction of Drug-Protein Interactions Based on Network Information
Xinsheng Li1, Daichuan Ma2, Yan Ren3
1College of Computer Science, Sichuan University, No.24 South Section 1, Yihuan Road, Wuhou District, Chengdu, Sichuan 610065,China.
Background:
The prediction of drug-protein interaction (DPI) plays an important role in drug discovery and repositioning. Unfortunately, traditional experimental validation of DPIs is expensive and time-consuming. Therefore, it is necessary to develop in silico methods for the identification of potential DPIs.
Methods:
In this work, the identification of DPIs was performed by the generated recommendation of the unexplored interaction of the drug-protein bipartite graph. Three kinds of recommenders were proposed to predict the potential DPIs.
Results:
The simulation results showed that the proposed models obtained good performance in crossvalidation and independent test.
Conclusion:
Our recommendation strategy based on collaborative filtering can effectively improve the DPI identification performance, especially for certain DPIs lacking chemical structure similarity or genomic sequence similarity.
More Related Videos
06:50Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
Published on: January 26, 2024
08:31Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
Published on: December 1, 2020
Related Concept Videos
02:04Protein-protein Interfaces
02:04Protein-Protein Interfaces
02:26Protein Networks
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
02:26Protein Networks
01:16Protein-Drug Binding: Mechanism and Kinetics
Various forces drive these interactions, including hydrogen bonds, hydrophobic interactions, ionic bonds, electrostatic interactions, and van der Waals forces. These bonds enable drugs to bind to specific sites on proteins,...
01:22Protein-Drug Binding: Determination Methods
Indirect methods involve isolating the bound drug from its free form in biological samples such as blood, serum, or plasma. These techniques aim to measure the percentage of drugs bound to proteins. Equilibrium dialysis is a commonly used method where the free drug concentration at equilibrium is measured by separating the bound...