Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV
Marcella Bassetto
1
,
Pieter Leyssen
2
,
Johan Neyts
2
,
Mark M Yerukhimovich
3
,
David N. Frick
3
,
Andrea Brancale
1
1
Cardiff School of Pharmacy and Pharmaceutical Sciences, Cardiff, King Edward VII Avenue, Cardiff CF103NB, UK.
|
Тип публикации: Journal Article
Дата публикации: 2017-02-01
scimago Q2
wos Q2
БС2
SJR: 0.472
CiteScore: 5.1
Impact factor: 2.2
ISSN: 0960894X, 14643405
PubMed ID:
28089348
Organic Chemistry
Drug Discovery
Biochemistry
Molecular Biology
Pharmaceutical Science
Clinical Biochemistry
Molecular Medicine
Краткое описание
A ligand-based approach was applied to screen in silico a library of commercially available compounds, with the aim to find novel inhibitors of the HCV replication starting from the study of the viral NS3 helicase. Six structures were selected for evaluation in the HCV subgenomic replicon assay and one hit was found to inhibit the HCV replicon replication in the low micromolar range. A small series of new pyrrolone compounds was designed and synthesised, and novel structures were identified with improved antiviral activity.
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ГОСТ
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Bassetto M. et al. Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV // Bioorganic and Medicinal Chemistry Letters. 2017. Vol. 27. No. 4. pp. 936-940.
ГОСТ со всеми авторами (до 50)
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Bassetto M., Leyssen P., Neyts J., Yerukhimovich M. M., Frick D. N., Brancale A. Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV // Bioorganic and Medicinal Chemistry Letters. 2017. Vol. 27. No. 4. pp. 936-940.
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TY - JOUR
DO - 10.1016/j.bmcl.2016.12.087
UR - https://doi.org/10.1016/j.bmcl.2016.12.087
TI - Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV
T2 - Bioorganic and Medicinal Chemistry Letters
AU - Bassetto, Marcella
AU - Leyssen, Pieter
AU - Neyts, Johan
AU - Yerukhimovich, Mark M
AU - Frick, David N.
AU - Brancale, Andrea
PY - 2017
DA - 2017/02/01
PB - Elsevier
SP - 936-940
IS - 4
VL - 27
PMID - 28089348
SN - 0960-894X
SN - 1464-3405
ER -
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@article{2017_Bassetto,
author = {Marcella Bassetto and Pieter Leyssen and Johan Neyts and Mark M Yerukhimovich and David N. Frick and Andrea Brancale},
title = {Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV},
journal = {Bioorganic and Medicinal Chemistry Letters},
year = {2017},
volume = {27},
publisher = {Elsevier},
month = {feb},
url = {https://doi.org/10.1016/j.bmcl.2016.12.087},
number = {4},
pages = {936--940},
doi = {10.1016/j.bmcl.2016.12.087}
}
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MLA
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Bassetto, Marcella, et al. “Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV.” Bioorganic and Medicinal Chemistry Letters, vol. 27, no. 4, Feb. 2017, pp. 936-940. https://doi.org/10.1016/j.bmcl.2016.12.087.