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Title

QSAR modeling and docking analysis of D2 receptor with known olanzapine derivatives

 

Authors

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

 

Affiliation

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

 

Email

*Correspondence: afolabiowoloye@yahoo.com +2348061195509

 

Article Type

Research Article

 

Date

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

 

Abstract

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 Artemisinins-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.

 

Keywords

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

 

Citation

Bhargava et al. Bioinformation 16(9): 666-671 (2020) 

 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

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.