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High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus

Ebolavirus, a member of the Filoviridae family of negative-sense RNA viruses, causes severe haemorrhagic fever leading up to 90% lethality. Ebolavirus matrix protein VP40 is involved in the virus assembly and budding process. The RNA binding pocket of VP40 is considered as the drug target site for s...

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Detalles Bibliográficos
Autores principales: Tamilvanan, Thangaraju, Hopper, Waheeta
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3607187/
https://www.ncbi.nlm.nih.gov/pubmed/23559747
http://dx.doi.org/10.6026/97320630009286
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author Tamilvanan, Thangaraju
Hopper, Waheeta
author_facet Tamilvanan, Thangaraju
Hopper, Waheeta
author_sort Tamilvanan, Thangaraju
collection PubMed
description Ebolavirus, a member of the Filoviridae family of negative-sense RNA viruses, causes severe haemorrhagic fever leading up to 90% lethality. Ebolavirus matrix protein VP40 is involved in the virus assembly and budding process. The RNA binding pocket of VP40 is considered as the drug target site for structure based drug design. High Throughput Virtual Screening and molecular docking studies were employed to find the suitable inhibitors against VP40. Ten compounds showing good glide score and glide energy as well as interaction with specific amino acid residues were short listed as drug leads. These small molecule inhibitors could be potent inhibitors for VP40 matrix protein by blocking virus assembly and budding process.
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spelling pubmed-36071872013-04-04 High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus Tamilvanan, Thangaraju Hopper, Waheeta Bioinformation Hypothesis Ebolavirus, a member of the Filoviridae family of negative-sense RNA viruses, causes severe haemorrhagic fever leading up to 90% lethality. Ebolavirus matrix protein VP40 is involved in the virus assembly and budding process. The RNA binding pocket of VP40 is considered as the drug target site for structure based drug design. High Throughput Virtual Screening and molecular docking studies were employed to find the suitable inhibitors against VP40. Ten compounds showing good glide score and glide energy as well as interaction with specific amino acid residues were short listed as drug leads. These small molecule inhibitors could be potent inhibitors for VP40 matrix protein by blocking virus assembly and budding process. Biomedical Informatics 2013-03-19 /pmc/articles/PMC3607187/ /pubmed/23559747 http://dx.doi.org/10.6026/97320630009286 Text en © 2013 Biomedical Informatics This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited.
spellingShingle Hypothesis
Tamilvanan, Thangaraju
Hopper, Waheeta
High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus
title High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus
title_full High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus
title_fullStr High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus
title_full_unstemmed High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus
title_short High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus
title_sort high-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus
topic Hypothesis
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3607187/
https://www.ncbi.nlm.nih.gov/pubmed/23559747
http://dx.doi.org/10.6026/97320630009286
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