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In Silico Search of Energy Metabolism Inhibitors for Alternative Leishmaniasis Treatments
Leishmaniasis is a complex disease that affects mammals and is caused by approximately 20 distinct protozoa from the genus Leishmania. Leishmaniasis is an endemic disease that exerts a large socioeconomic impact on poor and developing countries. The current treatment for leishmaniasis is complex, ex...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Hindawi Publishing Corporation
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4396002/ https://www.ncbi.nlm.nih.gov/pubmed/25918726 http://dx.doi.org/10.1155/2015/965725 |
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author | Silva, Lourival A. Vinaud, Marina C. Castro, Ana Maria Cravo, Pedro Vítor L. Bezerra, José Clecildo B. |
author_facet | Silva, Lourival A. Vinaud, Marina C. Castro, Ana Maria Cravo, Pedro Vítor L. Bezerra, José Clecildo B. |
author_sort | Silva, Lourival A. |
collection | PubMed |
description | Leishmaniasis is a complex disease that affects mammals and is caused by approximately 20 distinct protozoa from the genus Leishmania. Leishmaniasis is an endemic disease that exerts a large socioeconomic impact on poor and developing countries. The current treatment for leishmaniasis is complex, expensive, and poorly efficacious. Thus, there is an urgent need to develop more selective, less expensive new drugs. The energy metabolism pathways of Leishmania include several interesting targets for specific inhibitors. In the present study, we sought to establish which energy metabolism enzymes in Leishmania could be targets for inhibitors that have already been approved for the treatment of other diseases. We were able to identify 94 genes and 93 Leishmania energy metabolism targets. Using each gene's designation as a search criterion in the TriTrypDB database, we located the predicted peptide sequences, which in turn were used to interrogate the DrugBank, Therapeutic Target Database (TTD), and PubChem databases. We identified 44 putative targets of which 11 are predicted to be amenable to inhibition by drugs which have already been approved for use in humans for 11 of these targets. We propose that these drugs should be experimentally tested and potentially used in the treatment of leishmaniasis. |
format | Online Article Text |
id | pubmed-4396002 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | Hindawi Publishing Corporation |
record_format | MEDLINE/PubMed |
spelling | pubmed-43960022015-04-27 In Silico Search of Energy Metabolism Inhibitors for Alternative Leishmaniasis Treatments Silva, Lourival A. Vinaud, Marina C. Castro, Ana Maria Cravo, Pedro Vítor L. Bezerra, José Clecildo B. Biomed Res Int Research Article Leishmaniasis is a complex disease that affects mammals and is caused by approximately 20 distinct protozoa from the genus Leishmania. Leishmaniasis is an endemic disease that exerts a large socioeconomic impact on poor and developing countries. The current treatment for leishmaniasis is complex, expensive, and poorly efficacious. Thus, there is an urgent need to develop more selective, less expensive new drugs. The energy metabolism pathways of Leishmania include several interesting targets for specific inhibitors. In the present study, we sought to establish which energy metabolism enzymes in Leishmania could be targets for inhibitors that have already been approved for the treatment of other diseases. We were able to identify 94 genes and 93 Leishmania energy metabolism targets. Using each gene's designation as a search criterion in the TriTrypDB database, we located the predicted peptide sequences, which in turn were used to interrogate the DrugBank, Therapeutic Target Database (TTD), and PubChem databases. We identified 44 putative targets of which 11 are predicted to be amenable to inhibition by drugs which have already been approved for use in humans for 11 of these targets. We propose that these drugs should be experimentally tested and potentially used in the treatment of leishmaniasis. Hindawi Publishing Corporation 2015 2015-03-30 /pmc/articles/PMC4396002/ /pubmed/25918726 http://dx.doi.org/10.1155/2015/965725 Text en Copyright © 2015 Lourival A. Silva et al. https://creativecommons.org/licenses/by/3.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Research Article Silva, Lourival A. Vinaud, Marina C. Castro, Ana Maria Cravo, Pedro Vítor L. Bezerra, José Clecildo B. In Silico Search of Energy Metabolism Inhibitors for Alternative Leishmaniasis Treatments |
title |
In Silico Search of Energy Metabolism Inhibitors for Alternative Leishmaniasis Treatments |
title_full |
In Silico Search of Energy Metabolism Inhibitors for Alternative Leishmaniasis Treatments |
title_fullStr |
In Silico Search of Energy Metabolism Inhibitors for Alternative Leishmaniasis Treatments |
title_full_unstemmed |
In Silico Search of Energy Metabolism Inhibitors for Alternative Leishmaniasis Treatments |
title_short |
In Silico Search of Energy Metabolism Inhibitors for Alternative Leishmaniasis Treatments |
title_sort | in silico search of energy metabolism inhibitors for alternative leishmaniasis treatments |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4396002/ https://www.ncbi.nlm.nih.gov/pubmed/25918726 http://dx.doi.org/10.1155/2015/965725 |
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