CovidV2, Ncbi, Checkpoint, bibRecord, 000377

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

Identifieur interne : 000377 ( Ncbi/Checkpoint ); précédent : 000376; suivant : 000378

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

Auteurs : Thangaraju Tamilvanan ; Waheeta Hopper

Source :

Bioinformation [ 0973-8894 ] ; 2013.

RBID : PMC:3607187

Abstract

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.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3607187

DOI: 10.6026/97320630009286
PubMed: 23559747
PubMed Central: 3607187

Affiliations:

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to stream Pmc, to step Checkpoint: 000693
to stream Ncbi, to step Merge: 000377
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PMC:3607187

Le document en format XML

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<author><name sortKey="Tamilvanan, Thangaraju" sort="Tamilvanan, Thangaraju" uniqKey="Tamilvanan T" first="Thangaraju" last="Tamilvanan">Thangaraju Tamilvanan</name>
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<front><div type="abstract" xml:lang="en"><p><italic>Ebolavirus</italic>
, a member of the <italic>Filoviridae</italic> family of negative-sense RNA viruses, causes severe haemorrhagic fever leading up to 90%
lethality. <italic>Ebolavirus</italic> 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.</p>
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High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus

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

Source :

Abstract

Links toward previous steps (curation, corpus...)

Links to Exploration step

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri

Pour générer des pages wiki