Drug repurposing software tools | Drug discovery data analysis
Drug repositioning has been regarded as one of the most promising strategies for translational medicine. Common efforts to find new uses for existing drugs depend on text mining, chemical genetics and network analysis. In the April 2012 issue, proposed the use of genome-wide association studies (GWAS) for drug repositioning.
Allows to analyze the Mode of Action (MoA) of novel drugs and to identify known and approved candidates for “drug repositioning”. MANTRA is a computational tool based on network theory and non-parametric statistics on gene expression data, which offers three “workspaces”: Analysis, Network and Search. Users can visually explore the Drug Network that provides, for each of the drugs, information about biochemical interactions, therapeutic indications, known MoA, pharmacology and targeted proteins.
Allows protein ligand-binding site comparison and database searching. SMAP-WS is a computation environment designed for web accessible 3D ligand-binding site comparison and similarity searching on a structural proteome scale. The software is capable of an all-by-all comparison of binding sites for a complete structural proteome. It can assist users in addressing practical problems in biology and drug discovery.
A bioinformatics tool for identifying potential useful drugs in the context of orphan diseases. NFFinder uses transcriptomic data to find relationships between drugs, diseases and a phenotype of interest, as well as identifying experts having published on that domain. The application shows in a dashboard a series of graphics and tables designed to help researchers formulate repositioning hypotheses and identify potential biological relationships between drugs and diseases.
Predicts many kinds of biological activity for compounds from different chemical series based on their 2D structural formulas. PASS finds new targets mechanisms for some ligands. It can reveal new ligands for some biological targets. The tool can be used to analyze the occurrence, in a database, of compounds predicted to be active for a well-defined set of PASS activities.
A generalized tool for computational repositioning that builds on the successes of previous expression-based repositioning tools while allowing greater flexibility for the investigator. ksRepo eliminates the need for a single microarray platform as input and allows for the use of a variety of drug and chemical exposure databases.