• English
    • français
  • English 
    • English
    • français
  • Login
View Item 
  •   Repository Home
  • Research Papers (RP)
  • RP-School of Pure and Applied Sciences
  • RP-Department of Biochemistry and Biotechnology
  • View Item
  •   Repository Home
  • Research Papers (RP)
  • RP-School of Pure and Applied Sciences
  • RP-Department of Biochemistry and Biotechnology
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Comparative in Silico Study of Congocidine Congeners as Potential Inhibitors of African Swine Fever Virus

Thumbnail
View/Open
Full Text Article (2.243Mb)
Date
2019
Author
Kinyanyi, Dickson
Amwayi, Peris
Wamalwa, Mark
Obiero, George
Metadata
Show full item record
Abstract
Abstract African swine fever virus (ASFV) infection is fatal in domesticated pigs, with a mortality rate approaching 100%. This may result in economic losses and threats to food security. Cur rently, there are no approved vaccines or antiviral therapies for ASFV. Therefore, in this study, we evaluated congocidine congeners and a tris-benzimidazole as potential inhibitors of ASFV transcription using an in silico approach. We applied redocking of congocidine and docking of its congeners and a tris-benzimidazole to a receptor containing B-DNA with AT motifs as a target to mimic conserved ASFV late gene promoters. Subsequently, the binding scores of DNA-ligand docked complexes were evaluated and their binding affinity was esti mated. Molecular dynamics (MD) simulation was then used to assess ligand behavior within the minor groove. From our results, it is evident the less toxic congocidine congeners and tris-benzimidazole could dock to AT-rich regions significantly. Additionally, the predicted binding affinities had suitable values comparable to other experimentally determined minor groove binders, MD simulation of the docked DNA-ligand complexes and subsequent molecular trajectory visualization further showed that the ligands remained embedded in the minor groove during the time course of simulation, indicating that these ligands may have potential applications in abrogating ASFV transcription.
URI
http://ir-library.ku.ac.ke/handle/123456789/22071
Collections
  • RP-Department of Biochemistry and Biotechnology [467]

Designed by Library ICT Team copyright © 2017 
Contact Us | Send Feedback

 

 

Browse

All of RepositoryCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects

My Account

LoginRegister

Designed by Library ICT Team copyright © 2017 
Contact Us | Send Feedback