UPDATES TO THE TDR TARGETS CHEMOGENOMICS DATABASE

URAN LANDABURU L; DHANASEKARAN SHANMUGAM; AGÜERO F

Ciudad Autonoma de Buenos Aires

Conferencia; 4th ISCB Latin America Conference / 7th Argentinian Congress of Bioinformatics; 2016

International Society for Computational Biology (ISCB) / Asociacion Argentina de Bioinformatica y Biologia Computacional (A2B2C)

UPDATES TO THE TDR TARGETS CHEMOGENOMICS DATABASELionel Urán Landaburu1, Dhanasekaran Shanmugam2, Fernán Agüero11 Instituto de Investigaciones Biotecnológicas, UNSAM ? CONICET, San Martín, Buenos Aires, Argentina.2 Biochemical Sciences Division, National Chemical Laboratory, Pune, Maharashtra, IndiaOrganization and integration of heterogeneous large datasets of compound bioactivities and comparative chemogenomic information is a growing trend in the field of chemogenomics. Having organized information makes it easier to ask relevant questions to the data, such as e.g. find candidate druggable targets among orthologs. This is especially useful when it comes to neglected diseases, where basic research is rather scarce in comparison. In our laboratory, we developed and maintain a chemogenomics database intended to comply with this need, TDR Targets (www.tdrtargets.org). This work summarizes the latest efforts made in this regard. Recent updates of chemical information in the database increased the number of bioactive compounds to >2 million (+288,432 from CHEMBL and +324,693 compounds from other high-throughput screenings). We have also updated all genome data for the existing 11 TDR Targets organisms, and have also included genomic information for new species (both from human pathogens and other model organisms). New genome updates/additions include Trypanosomatids (Leishmania infantum, L. braziliensis, L. mexicana, L. donovani); Apicomplexans (Cryptosporidium parvum, C. hominis, Babesia bovis, Neospora caninum, Theileria parva); Mycobateria (M. ulcerans); Helminths (Loa loa, Echinococcus multilocularis, E. granulosus, Schistosoma japonicum); Bacteria (Chlamydia trachomatis; Treponema pallidum); Early Branching Eukaryotes (Giardia lamblia, Trichomonas vaginalis); and Amoebas (Entamoeba histolytica). We also updated data for 26 existing model organisms, and also added two new genomes: those of Dictyostelium discoideum (for amoebas) and Schmidtea mediterranea (for flatworms). Along with dataset updates, we will discuss data curation to increase coverage of compound bioactivities and target phenotypes (target essentiality/validation).