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Molecular docking analysis of Plasmodium falciparum dihydroorotate dehydrogenase towards the design of effective inhibitors
Malaria remains a global public health burden with significant mortality and morbidity. Despite the several approved drugs available for its management, the parasite has developed resistance to virtually all known antimalarial drugs. The development of a new drug that can combat resistant to Artemis...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Biomedical Informatics
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8457017/ https://www.ncbi.nlm.nih.gov/pubmed/34621112 http://dx.doi.org/10.6026/97320630016672 |
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author | Owoloye, Afolabi Enejoh, Ojochenemi A Akanbi, Olusegun M Bankole, Owolabi M |
author_facet | Owoloye, Afolabi Enejoh, Ojochenemi A Akanbi, Olusegun M Bankole, Owolabi M |
author_sort | Owoloye, Afolabi |
collection | PubMed |
description | Malaria remains a global public health burden with significant mortality and morbidity. Despite the several approved drugs available for its management, the parasite has developed resistance to virtually all known antimalarial drugs. The development of a new drug that can combat resistant to Artemisinin based Combination Therapies (ACTs) for malaria is imperative. Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH), a flavin-dependent mitochondrial enzyme is vital in the parasite's pyrimidine biosynthesis is a well-known drug target. Therefore, it is of interest to document the MOLECULAR DOCKING analysis (using Maestro, Schrodinger) data of DIHYDROOROTATE DEHYDROGENASE PfDHODH from P. falciparum towards the design of effective inhibitors. The molecular docking features of 10 compounds with reference to chloroquine with PfDHODH are documented in this report for further consideration. |
format | Online Article Text |
id | pubmed-8457017 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Biomedical Informatics |
record_format | MEDLINE/PubMed |
spelling | pubmed-84570172021-10-06 Molecular docking analysis of Plasmodium falciparum dihydroorotate dehydrogenase towards the design of effective inhibitors Owoloye, Afolabi Enejoh, Ojochenemi A Akanbi, Olusegun M Bankole, Owolabi M Bioinformation Research Article Malaria remains a global public health burden with significant mortality and morbidity. Despite the several approved drugs available for its management, the parasite has developed resistance to virtually all known antimalarial drugs. The development of a new drug that can combat resistant to Artemisinin based Combination Therapies (ACTs) for malaria is imperative. Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH), a flavin-dependent mitochondrial enzyme is vital in the parasite's pyrimidine biosynthesis is a well-known drug target. Therefore, it is of interest to document the MOLECULAR DOCKING analysis (using Maestro, Schrodinger) data of DIHYDROOROTATE DEHYDROGENASE PfDHODH from P. falciparum towards the design of effective inhibitors. The molecular docking features of 10 compounds with reference to chloroquine with PfDHODH are documented in this report for further consideration. Biomedical Informatics 2020-09-30 /pmc/articles/PMC8457017/ /pubmed/34621112 http://dx.doi.org/10.6026/97320630016672 Text en © 2020 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License. |
spellingShingle | Research Article Owoloye, Afolabi Enejoh, Ojochenemi A Akanbi, Olusegun M Bankole, Owolabi M Molecular docking analysis of Plasmodium falciparum dihydroorotate dehydrogenase towards the design of effective inhibitors |
title | Molecular docking analysis of Plasmodium falciparum dihydroorotate dehydrogenase towards the design of effective inhibitors |
title_full | Molecular docking analysis of Plasmodium falciparum dihydroorotate dehydrogenase towards the design of effective inhibitors |
title_fullStr | Molecular docking analysis of Plasmodium falciparum dihydroorotate dehydrogenase towards the design of effective inhibitors |
title_full_unstemmed | Molecular docking analysis of Plasmodium falciparum dihydroorotate dehydrogenase towards the design of effective inhibitors |
title_short | Molecular docking analysis of Plasmodium falciparum dihydroorotate dehydrogenase towards the design of effective inhibitors |
title_sort | molecular docking analysis of plasmodium falciparum dihydroorotate dehydrogenase towards the design of effective inhibitors |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8457017/ https://www.ncbi.nlm.nih.gov/pubmed/34621112 http://dx.doi.org/10.6026/97320630016672 |
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