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Molecular docking analysis of Plasmodium falciparum dihydroorotate dehydrogenase towards the design of effective inhibitors



Afolabi Owoloye*,1,2, Ojochenemi A. Enejoh2, Olusegun M. Akanbi1 and Owolabi M. Bankole2,3



1Parasitology Unit, Department of Animal and Environmental Biology, Adekunle Ajasin University, Akungba-Akoko, Nigeria; 2Centre for Biocomputing and Drug Development, Adekunle Ajasin University, Akungba-Akoko, Nigeria; 3Department of Chemistry, Adekunle Ajasin University, Akungba-Akoko, Nigeria;



*correspondence: afolabiowoloye@yahoo.com +2348061195509


Article Type

Research Article



Submitted on February 12, 2020; Revision July 29, 2020; Accepted July 31, 2020; Published September 30, 2020



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.



Plasmodium falciparum, dihydroorotate dehydrogenase, rosmarinic acid, catechin, deoxykaempferol, chloroquine



Owoloye et al. Bioinformation 16(9): 671-678 (2020)


Edited by

P Kangueane






Biomedical Informatics



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.