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Radusky, L.G.; Hassan, S.S.; Lanzarotti, E.; Tiwari, S.; Jamal, S.B.; Ali, J.; Ali, A.; Ferreira, R.S.; Barh, D.; Silva, A.; Turjanski, A.G.; Azevedo, V.A.C. "An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets" (2015) BMC Genomics. 16(5)
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Abstract:

Background: The bacterium Corynebacterium pseudotuberculosis (Cp) causes caseous lymphadenitis (CLA), mastitis, ulcerative lymphangitis, and oedema in a number of hosts, comprising ruminants, thereby intimidating economic and dairy industries worldwide. So far there is no effective drug or vaccine available against Cp. Previously, a pan-genomic analysis was performed for both biovar equi and biovar ovis and a Pathogenicity Islands (PAIS) analysis within the strains highlighted a large set of proteins that could be relevant therapeutic targets for controlling the onset of CLA. In the present work, a structural druggability analysis pipeline was accomplished along 15 previously sequenced Cp strains from both biovar equi and biovar ovis. Methods and results: We computed the whole modelome of a reference strain Cp1002 (NCBI Accession: NC_017300.1) and then the homology models of proteins, of 14 different Cp strains, with high identity (≥ 85%) to the reference strain were also done. Druggability score of all proteins pockets was calculated and only those targets that have a highly druggable (HD) pocket in all strains were kept, a set of 58 proteins. Finally, this information was merged with the previous PAIS analysis giving two possible highly relevant targets to conduct drug discovery projects. Also, off-targeting information against host organisms, including Homo sapiens and a further analysis for protein essentiality provided a final set of 31 druggable, essential and non-host homologous targets, tabulated in table S4, additional file 1. Out of 31 globally druggable targets, 9 targets have already been reported in other pathogenic microorganisms, 3 of them (3-isopropylmalate dehydratase small subunit, 50S ribosomal protein L30, Chromosomal replication initiator protein DnaA) in C. pseudotuberculosis. Conclusion: Overall we provide valuable information of possible targets against C. pseudotuberculosis where some of these targets have already been reported in other microorganisms for drug discovery projects, also discarding targets that might be physiologically relevant but are not amenable for drug binding. We propose that the constructed in silico dataset might serve as a guidance for the scientific community to have a better understanding while selecting putative therapeutic protein candidates as druggable ones as effective measures against C. pseudotuberculosis. © 2015 Radusky et al.

Registro:

Documento: Artículo
Título:An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets
Autor:Radusky, L.G.; Hassan, S.S.; Lanzarotti, E.; Tiwari, S.; Jamal, S.B.; Ali, J.; Ali, A.; Ferreira, R.S.; Barh, D.; Silva, A.; Turjanski, A.G.; Azevedo, V.A.C.
Filiación:Universidad de Buenos Aires, Departamento de Química Biológica, Facultad de Ciencias Exactas y Naturales, Pabellón II, Buenos Aires, C1428EHA, Argentina
Universidad de Buenos Aires, INQUIMAE/UBA-CONICET, Facultad de Ciencias Exactas y Naturales, Pabellón II, Buenos Aires, C1428EHA, Argentina
Federal University of Minas Gerais, PG Program in Bioinformatics, Institute of Biological Sciences, Belo Horizonte, Minas Gerais, Brazil
Kohat University of Science and Technology (KUST), KPK, Department of Chemistry, Pakistan
National University of Sciences and Technology (NUST), Department of Industrial Biotechnology, Atta-ur-Rahman School of Applied Biosciences, Islamabad, Pakistan
Federal University of Minas Gerais, Department of Biochemistry and Immunology, Institute of Biological Sciences, Belo Horizonte, Minas Gerais, Brazil
Institute of Integrative Omics and Applied Biotechnology (IIOAB), Nonakuri, Centre for Genomics and Applied Gene Technology, Purba Medinipur, West Bengal, India
Federal University of Pará, Institute of Biological Sciences, Belém, Para, Brazil
Palabras clave:3 isopropylmalate dehydratase small subunit; 50S ribosomal protein L30; bacterial protein; hydrolyase; proteome; replication initiator protein DnaA; ribosome protein; unclassified drug; antiinfective agent; Article; bacterial genome; bacterial strain; biotype; computer model; Corynebacterium pseudotuberculosis; drug targeting; genome analysis; host; nonhuman; open reading frame; pathogenicity island; protein analysis; protein structure; structural homology; structural proteomics; structure analysis; algorithm; animal; bacterial genome; binding site; biology; Corynebacterium Infections; Corynebacterium pseudotuberculosis; drug effects; genetics; human; nucleotide sequence; procedures; proteomics; veterinary; Algorithms; Animals; Anti-Bacterial Agents; Base Sequence; Binding Sites; Computational Biology; Corynebacterium Infections; Corynebacterium pseudotuberculosis; Genome, Bacterial; Humans; Open Reading Frames; Proteomics
Año:2015
Volumen:16
Número:5
DOI: http://dx.doi.org/10.1186/1471-2164-16-S5-S9
Título revista:BMC Genomics
Título revista abreviado:BMC Genomics
ISSN:14712164
CODEN:BGMEE
CAS:hydrolyase, 9044-86-4; Anti-Bacterial Agents
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14712164_v16_n5_p_Radusky

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Citas:

---------- APA ----------
Radusky, L.G., Hassan, S.S., Lanzarotti, E., Tiwari, S., Jamal, S.B., Ali, J., Ali, A.,..., Azevedo, V.A.C. (2015) . An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets. BMC Genomics, 16(5).
http://dx.doi.org/10.1186/1471-2164-16-S5-S9
---------- CHICAGO ----------
Radusky, L.G., Hassan, S.S., Lanzarotti, E., Tiwari, S., Jamal, S.B., Ali, J., et al. "An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets" . BMC Genomics 16, no. 5 (2015).
http://dx.doi.org/10.1186/1471-2164-16-S5-S9
---------- MLA ----------
Radusky, L.G., Hassan, S.S., Lanzarotti, E., Tiwari, S., Jamal, S.B., Ali, J., et al. "An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets" . BMC Genomics, vol. 16, no. 5, 2015.
http://dx.doi.org/10.1186/1471-2164-16-S5-S9
---------- VANCOUVER ----------
Radusky, L.G., Hassan, S.S., Lanzarotti, E., Tiwari, S., Jamal, S.B., Ali, J., et al. An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets. BMC Genomics. 2015;16(5).
http://dx.doi.org/10.1186/1471-2164-16-S5-S9