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Nucleic Acids Res. 2020 Jan 8;48(D1):D992-D1005. doi: 10.1093/nar/gkz999.

TDR Targets 6: driving drug discovery for human pathogens through intensive chemogenomic data integration.

Author information

1
Instituto de Investigaciones Biotecnológicas "Rodolfo Ugalde" (IIB), Universidad de San Martín, San Martín, B1650HMP, Buenos Aires, Argentina.
2
Instituto de Investigaciones Biotecnológicas (IIBIO), Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), San Martín, B1650HMP Buenos Aires, Argentina.
3
Fundación Instituto Leloir, Patricias Argentinas 435, Ciudad Autónoma de Buenos Aires, Argentina.
4
Biochemical Sciences Division, CSIR- National Chemical Laboratory, Pune, India.
5
Faculty of Sciences, Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, India.
6
Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, C1428EGA, Ciudad Autónoma de Buenos Aires, Argentina.

Abstract

The volume of biological, chemical and functional data deposited in the public domain is growing rapidly, thanks to next generation sequencing and highly-automated screening technologies. These datasets represent invaluable resources for drug discovery, particularly for less studied neglected disease pathogens. To leverage these datasets, smart and intensive data integration is required to guide computational inferences across diverse organisms. The TDR Targets chemogenomics resource integrates genomic data from human pathogens and model organisms along with information on bioactive compounds and their annotated activities. This report highlights the latest updates on the available data and functionality in TDR Targets 6. Based on chemogenomic network models providing links between inhibitors and targets, the database now incorporates network-driven target prioritizations, and novel visualizations of network subgraphs displaying chemical- and target-similarity neighborhoods along with associated target-compound bioactivity links. Available data can be browsed and queried through a new user interface, that allow users to perform prioritizations of protein targets and chemical inhibitors. As such, TDR Targets now facilitates the investigation of drug repurposing against pathogen targets, which can potentially help in identifying candidate targets for bioactive compounds with previously unknown targets. TDR Targets is available at https://tdrtargets.org.

PMID:
31680154
DOI:
10.1093/nar/gkz999

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