Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Owoloye, Afolabi, Enejoh, Ojochenemi A, Akanbi, Olusegun M, Bankole, Owolabi M
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2020
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
_version_ 1784570991231369216
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
work_keys_str_mv AT owoloyeafolabi moleculardockinganalysisofplasmodiumfalciparumdihydroorotatedehydrogenasetowardsthedesignofeffectiveinhibitors
AT enejohojochenemia moleculardockinganalysisofplasmodiumfalciparumdihydroorotatedehydrogenasetowardsthedesignofeffectiveinhibitors
AT akanbiolusegunm moleculardockinganalysisofplasmodiumfalciparumdihydroorotatedehydrogenasetowardsthedesignofeffectiveinhibitors
AT bankoleowolabim moleculardockinganalysisofplasmodiumfalciparumdihydroorotatedehydrogenasetowardsthedesignofeffectiveinhibitors