About: Comparative Anti-Infectious Bronchitis Virus (IBV) Activity of (-)-Pinene: Effect on Nucleocapsid (N) Protein

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An Entity of Type : schema:ScholarlyArticle, within Data Space : wasabi.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
title	Comparative Anti-Infectious Bronchitis Virus (IBV) Activity of (-)-Pinene: Effect on Nucleocapsid (N) Protein
Creator	Fu, Yujie Wu, Nan Yang, Zhiwei Zu, Yuangang
source	Medline; PMC
abstract	In the present study, anti-IBV (infectious bronchitis virus) activities of (-)-pinenes were studied by MTT assay, as well as docking and molecular dynamic (MD) simulations. The CC(50)values of (-)-α-pinene and (-)-β-pinene were above 10 mM. And the maximum noncytotoxic concentrations (TD(0)) of (-)-α-pinene and (-)-β-pinene were determined as 7.88 ± 0.06 and 6.09 ± 0.31 mM, respectively. The two compounds were found to inhibit IBV with an IC(50) of 0.98 ± 0.25 and 1.32 ± 0.11 mM. The MTT assay showed that the inhibitions of (-)-pinenes against IBV appear to occur moderately before entering the cell but are much stronger occur after penetration of the virus into the cell. Molecular simulations indicated that (-)-α-pinene and (-)-β-pinene specifically interact with the active site which is located at the N terminus of phosphorylated nucleocapsid (N) protein, with the former being more potent than the latter. The binding energies of them are −36.83 and −35.59 kcal mol(−1), respectively. Results presented here may suggest that (-)-α-pinene and (-)-β-pinene possess anti-IBV properties, and therefore are a potential source of anti-IBV ingredients for the pharmaceutical industry.
has issue date	2011-01-25(xsd:dateTime)
bibo:doi	10.3390/molecules16021044
bibo:pmid	21350392
has license	cc-by
sha1sum (hex)	4c3ff586d4238ccd7324950db31a02037463f973
schema:url	https://doi.org/10.3390/molecules16021044
resource representing a document's title	Comparative Anti-Infectious Bronchitis Virus (IBV) Activity of (-)-Pinene: Effect on Nucleocapsid (N) Protein
has PubMed Central identifier	PMC6259611
has PubMed identifier	21350392
schema:publication	Molecules
resource representing a document's body	covid:4c3ff586d4238ccd7324950db31a02037463f973#body_text
is schema:about of	named entity 'Results' named entity 'located' named entity 'cell' named entity 'Virus' named entity 'MOLECULAR DYNAMIC' named entity 'THE CELL' named entity 'BEING' named entity '0.25' named entity 'DETERMINED' named entity 'TO INHIBIT' named entity 'SUGGEST' named entity 'IBV' named entity 'NUCLEOCAPSID' named entity 'PRESENT' named entity 'TERMINUS' named entity 'MOLECULAR' named entity 'KCAL' named entity 'ENERGIES' named entity 'APPEAR' named entity 'SOURCE' named entity '0.11' named entity 'STUDY' named entity 'PROTEIN' named entity 'HERE' named entity 'CONCENTRATIONS' named entity '0.31' named entity 'MUCH' named entity 'MOL' named entity 'PHARMACEUTICAL INDUSTRY' named entity 'ACTIVITY' named entity 'INHIBITIONS' named entity 'PINENE' named entity 'EFFECT' named entity 'INFECTIOUS BRONCHITIS VIRUS' named entity 'ACTIVE SITE' named entity 'MOLECULES' named entity 'NUCLEOCAPSID' named entity 'PROTEIN' named entity 'PINENE' named entity 'SIMULATIONS' named entity 'PROPERTIES' named entity 'POTENTIAL' named entity 'VIRUS' named entity 'DOCKING' named entity 'INDICATED' named entity 'ACTIVITIES' named entity 'POSSESS' named entity '921' named entity 'MODERATELY' named entity 'BRONCHITIS' named entity 'RESULTS' named entity 'VALUES' named entity 'MTT ASSAY' named entity 'BINDING' named entity 'INTERACT' named entity 'OCCUR' named entity '0.06' named entity 'PHOSPHORYLATED' named entity 'MAXIMUM' named entity 'BUT' named entity 'PENETRATION' covid:arg/4c3ff586d4238ccd7324950db31a02037463f973 named entity 'simulations' named entity 'pharmaceutical industry' named entity 'inhibit' named entity 'docking' named entity 'infectious bronchitis' named entity 'α-pinene' named entity 'kcal' named entity 'active site' named entity 'IBV' named entity 'binding energies' named entity 'nucleocapsid' named entity 'Nucleocapsid' named entity 'IBV' named entity 'Infectious Bronchitis Virus' named entity 'β-pinene' named entity 'IBV'

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