2-6 December 2018
Century City Convention Centre
Africa/Johannesburg timezone
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Molecular dynamic study of multitargeting ligands – A new strategy for the treatment of Mycobacterium tuberculosis (TB)

Not scheduled
20m
Century City Convention Centre

Century City Convention Centre

No. 4 Energy Lane Bridgeways Precinct Century City 7441
Poster Computational Chemistry Poster session

Speaker

Mr Murtala Adegbola Ejalonibu (College of Health science University of KwaZulu-Natal)

Description

ABSTRACT
Tuberculosis (TB) remains one of the leading causes of mortality worldwide, it kills approximately 1.5 million people annually, while the spread of multidrug-resistant strains is of great global concern. Thus, continuous efforts to identify new anti-tubercular drugs as well as novel targets are crucial. Recently, Compounds 11426026, CDD-823953 and GSK735826A had shown to act as dual targeting ligands individually against Mycobacterium tuberculosis PanK and PyrG protein simultaneously. These enzymes are crucial to the survival of the tuberculosis bacterial. The results reported in this study shows apo conformation to be less stable, as compared to bound conformation. Principal component analysis further justifies the same findings, whereby the apo enzyme exhibits a higher fluctuation compared to the bound complex. Findings reported in this study further enhance the understanding of Mycobacterium tuberculosis Pank and PyrG as a lead to the development of multitargeting potent tuberculosis drugs.

Primary authors

Mr Murtala Adegbola Ejalonibu (College of Health science University of KwaZulu-Natal) Mr Ahmad Elrashedy (College of Health Sciences University of KwaZulu-Natal) Dr Hezekiel Kumalo (Medical college University of KwaZulu-Natal) Dr Mhlongo Ndumiso (Medical college University of KwaZulu-Natal) Prof. Mahmoud Soliman (College of Health sciences University of KwaZulu-Natal)

Presentation Materials

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