Correction: Prediction of Drug-Target Interactions for Drug Repositioning Only Based on Genomic Expression Similarity

Prediction of Drug-Target Interactions for Drug Repositioning Only Based on Genomic Expression Similarity

Small drug molecules usually bind to multiple protein targets or even unintended off-targets. Such drug promiscuity has often led to unwanted or unexplained drug reactions, resulting in side effects or drug repositioning opportunities. So it is always an important issue in pharmacology to identify potential drug-target interactions (DTI). However, DTI discovery by experiment remains a challengi...

O-3: Drug Repositioning by Merging Gene Expression Data Analysis and Cheminformatics Target Prediction Approaches

The transcriptional responses of drug treatments combined with a protein target prediction algorithm was utilised to associate compounds to biological genomic space. This enabled us to predict efficacy of compounds in cMap and LINCS against 181 databases of diseases extracted from GEO. 18/30 of top drugs predicted for leukemia (e.g. Leflunomide and Etoposide) and breast cancer (e.g. Tamoxifen a...

Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference

Drug-target interaction (DTI) is the basis of drug discovery and design. It is time consuming and costly to determine DTI experimentally. Hence, it is necessary to develop computational methods for the prediction of potential DTI. Based on complex network theory, three supervised inference methods were developed here to predict DTI and used for drug repositioning, namely drug-based similarity i...

MeSHDD: Literature-based drug-drug similarity for drug repositioning

Objective Drug repositioning is a promising methodology for reducing the cost and duration of the drug discovery pipeline. We sought to develop a computational repositioning method leveraging annotations in the literature, such as Medical Subject Heading (MeSH) terms. Methods We developed software to determine significantly co-occurring drug-MeSH term pairs and a method to estimate pair-wise ...

Similarity based learning method for drug target interaction prediction