An Approach for Zika Virus Inhibition Using Homology Structure of the Envelope Protein

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00027162%3A_____%2F16%3AN0000047" target="_blank" >RIV/00027162:_____/16:N0000047 - isvavai.cz</a>

Alternative codes found

RIV/60077344:_____/16:00468233

Result on the web

<a href="http://link.springer.com/article/10.1007%2Fs12033-016-9979-1" target="_blank" >http://link.springer.com/article/10.1007%2Fs12033-016-9979-1</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s12033-016-9979-1" target="_blank" >10.1007/s12033-016-9979-1</a>

Result language

angličtina

Original language name

An Approach for Zika Virus Inhibition Using Homology Structure of the Envelope Protein

Original language description

To find an effective drug for Zika virus, it is important to understand how numerous proteins which are critical for the virus' structure and function interact with their counterparts. One approach to inhibiting the flavivirus is to deter its ability to bind onto glycoproteins; however, the crystal structures of envelope proteins of the ever-evolving viral strains that decipher glycosidic or drug-molecular interactions are not always available. To fill this gap, we are reporting a holistic, simulation-based approach to predict compounds that will inhibit ligand binding onto a structurally unresolved protein, in this case the Zika virus envelope protein (ZVEP), by developing a three-dimensional general structure and analyzing sites at which ligands and small drug-like molecules interact. By examining how glycan molecules and small-molecule probes interact with a freshly resolved ZVEP homology model, we report the susceptibility of ZVEP to inhibition via two small molecules, ZINC33683341 and ZINC49605556-by preferentially binding onto the primary receptor responsible for the virus' virulence. Antiviral activity was confirmed when ZINC33683341 was tested in cell culture. We anticipate the results to be a starting point for drug discovery targeting Zika virus and other emerging pathogens.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

EE - Microbiology, virology

OECD FORD branch

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Project

<a href="/en/project/GA16-20054S" target="_blank" >GA16-20054S: Advanced studies on West Nile virus infection pathogenesis towards novel therapeutic strategies</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2016

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Molecular Biotechnology

ISSN

1073-6085

e-ISSN

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Volume of the periodical

58

Issue of the periodical within the volume

12

Country of publishing house

US - UNITED STATES

Number of pages

7

Pages from-to

801-806

UT code for WoS article

000393123600003

EID of the result in the Scopus database

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