The 3D modeling and characterization of wild type and mutated Plasmodium falciparum cytochrome b: A computational approach. | [Pakistan Journal of Zoology • 2014]

Author(s):

1. Jawaria Munir: Institute of Molecular Sciences & Bioinformatics, Lahore, Pakistan

2. Zeeshan Iqbal: Institute of Molecular Sciences & Bioinformatics, Lahore, Pakistan

3. Muhammad Saleem: Department of Botany, University of the Punjab, Lahore, Pakistan

4. Farah Rauf Shakoori: Department of Zoology, University of the Punjab, Lahore, Pakistan

5. Zahid Mahmood: Institute of Biochemistry, University of Balochistan, Quetta, Pakistan

6. Abdul Rauf Shakoori: School of Biological Sciences, University of the Punjab, Lahore, Pakistan

7. Nasir-ud-Din: Institute of Molecular Sciences & Bioinformatics, Lahore, Pakistan; HEJ Research Institute of Chemistry, University of Karachi, Karachi, Pakistan

Abstract:

Multi-drug resistant malaria parasite promotes the search of new analogues against mutated drug targets. Plasmodium falciparum cytochrome b (PfCytochrome b) was a promising drug target but resistance linked to the mutation has been reported. Different combinations of point mutations have been observed in atovaquone-resistant strains of Plasmodium falciparum (P. falciparum). The crystal structure of wild type and mutant PfCytochrome b has not been reported till present. In current study, the analyses and characterization of mutated primary sequences and generation of 3D structure for wild type and mutated PfCytochrome b taken into account. The spotlight of this study is to generate 3D structural model of the PfCytochrome b by utilizing in silico methods. The template based protein modeling servers were considered for 3D structural modeling and finally selected structures were validated by utilizing computational tools. Docking studies revealed that conformational changes in active site are potentially associated with resistance development due to point mutations. These findings are useful for further structure based investigations to design new drugs against mutated protein.

Page(s): 841-851

DOI: DOI not available

Published: Journal: Pakistan Journal of Zoology, Volume: 46, Issue: 3, Year: 2014

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