Serveur d'exploration H2N2

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Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus

Identifieur interne : 000809 ( Pmc/Checkpoint ); précédent : 000808; suivant : 000810

Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus

Auteurs : Huaxing Wu [République populaire de Chine] ; Beili Li [République populaire de Chine] ; Xue Wang [République populaire de Chine] ; Mingyuan Jin [République populaire de Chine] ; Guonian Wang [République populaire de Chine]

Source :

RBID : PMC:6264369

Abstract

In the present study, the anti-influenza A (H2N2) virus activity of patchouli alcohol was studied in vitro, in vivo and in silico. The CC50 of patchouli alcohol was above 20 µM. Patchouli alcohol could inhibit influenza virus with an IC50 of 4.03 ± 0.23 µM. MTT assay showed that the inhibition by patchouli alcohol appears strongly after penetration of the virus into the cell. In the influenza mouse model, patchouli alcohol showed obvious protection against the viral infection at a dose of 5 mg/kg/day. Flexible docking and molecular dynamic simulations indicated that patchouli alcohol was bound to the neuraminidase protein of influenza virus, with an interaction energy of –40.38 kcal mol–1. The invariant key active-site residues Asp151, Arg152, Glu119, Glu276 and Tyr406 played important roles during the binding process. Based on spatial and energetic criteria, patchouli alcohol interfered with the NA functions. Results presented here suggest that patchouli alcohol possesses anti-influenza A (H2N2) virus properties, and therefore is a potential source of anti-influenza agents for the pharmaceutical industry.


Url:
DOI: 10.3390/molecules16086489
PubMed: 21814161
PubMed Central: 6264369


Affiliations:


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PMC:6264369

Le document en format XML

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<p>In the present study, the anti-influenza A (H2N2) virus activity of patchouli alcohol was studied
<italic>in vitro</italic>
,
<italic>in vivo</italic>
and
<italic>in silico</italic>
. The CC
<sub>50</sub>
of patchouli alcohol was above 20 µM. Patchouli alcohol could inhibit influenza virus with an IC
<sub>50</sub>
of 4.03 ± 0.23 µM. MTT assay showed that the inhibition by patchouli alcohol appears strongly after penetration of the virus into the cell. In the influenza mouse model, patchouli alcohol showed obvious protection against the viral infection at a dose of 5 mg/kg/day. Flexible docking and molecular dynamic simulations indicated that patchouli alcohol was bound to the neuraminidase protein of influenza virus, with an interaction energy of –40.38 kcal mol
<sup>–1</sup>
. The invariant key active-site residues Asp151, Arg152, Glu119, Glu276 and Tyr406 played important roles during the binding process. Based on spatial and energetic criteria, patchouli alcohol interfered with the NA functions. Results presented here suggest that patchouli alcohol possesses anti-influenza A (H2N2) virus properties, and therefore is a potential source of anti-influenza agents for the pharmaceutical industry.</p>
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</TEI>
<pmc article-type="research-article">
<pmc-dir>properties open_access</pmc-dir>
<front>
<journal-meta>
<journal-id journal-id-type="nlm-ta">Molecules</journal-id>
<journal-id journal-id-type="iso-abbrev">Molecules</journal-id>
<journal-id journal-id-type="publisher-id">molecules</journal-id>
<journal-title-group>
<journal-title>Molecules</journal-title>
</journal-title-group>
<issn pub-type="epub">1420-3049</issn>
<publisher>
<publisher-name>MDPI</publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id pub-id-type="pmid">21814161</article-id>
<article-id pub-id-type="pmc">6264369</article-id>
<article-id pub-id-type="doi">10.3390/molecules16086489</article-id>
<article-id pub-id-type="publisher-id">molecules-16-06489</article-id>
<article-categories>
<subj-group subj-group-type="heading">
<subject>Article</subject>
</subj-group>
</article-categories>
<title-group>
<article-title>Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus</article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname>Wu</surname>
<given-names>Huaxing</given-names>
</name>
<xref ref-type="aff" rid="af1-molecules-16-06489">1</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Li</surname>
<given-names>Beili</given-names>
</name>
<xref ref-type="aff" rid="af1-molecules-16-06489">1</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Wang</surname>
<given-names>Xue</given-names>
</name>
<xref ref-type="aff" rid="af1-molecules-16-06489">1</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Jin</surname>
<given-names>Mingyuan</given-names>
</name>
<xref ref-type="aff" rid="af1-molecules-16-06489">1</xref>
</contrib>
<contrib contrib-type="author">
<name>
<surname>Wang</surname>
<given-names>Guonian</given-names>
</name>
<xref ref-type="aff" rid="af2-molecules-16-06489">2</xref>
<xref rid="c1-molecules-16-06489" ref-type="corresp">*</xref>
</contrib>
</contrib-group>
<aff id="af1-molecules-16-06489">
<label>1</label>
Department of Endoscopy, the Third Affiliated Hospital, Harbin Medical University, Harbin 150040, China</aff>
<aff id="af2-molecules-16-06489">
<label>2</label>
Department of Anesthesiology, the Third Affiliated Hospital, Harbin Medical University, Harbin 150081, China</aff>
<author-notes>
<corresp id="c1-molecules-16-06489">
<label>*</label>
Author to whom correspondence should be addressed; Email:
<email>gracewhx1964@yahoo.cn</email>
; Tel.: +86-451-86298237; Fax: +86-451-86298811.</corresp>
</author-notes>
<pub-date pub-type="epub">
<day>03</day>
<month>8</month>
<year>2011</year>
</pub-date>
<pub-date pub-type="collection">
<month>8</month>
<year>2011</year>
</pub-date>
<volume>16</volume>
<issue>8</issue>
<fpage>6489</fpage>
<lpage>6501</lpage>
<history>
<date date-type="received">
<day>13</day>
<month>5</month>
<year>2011</year>
</date>
<date date-type="rev-recd">
<day>25</day>
<month>7</month>
<year>2011</year>
</date>
<date date-type="accepted">
<day>28</day>
<month>7</month>
<year>2011</year>
</date>
</history>
<permissions>
<copyright-statement>© 2011 by the authors;</copyright-statement>
<copyright-year>2011</copyright-year>
<license license-type="open-access">
<license-p>licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (
<ext-link ext-link-type="uri" xlink:href="http://creativecommons.org/licenses/by/3.0/">http://creativecommons.org/licenses/by/3.0/</ext-link>
).</license-p>
</license>
</permissions>
<abstract>
<p>In the present study, the anti-influenza A (H2N2) virus activity of patchouli alcohol was studied
<italic>in vitro</italic>
,
<italic>in vivo</italic>
and
<italic>in silico</italic>
. The CC
<sub>50</sub>
of patchouli alcohol was above 20 µM. Patchouli alcohol could inhibit influenza virus with an IC
<sub>50</sub>
of 4.03 ± 0.23 µM. MTT assay showed that the inhibition by patchouli alcohol appears strongly after penetration of the virus into the cell. In the influenza mouse model, patchouli alcohol showed obvious protection against the viral infection at a dose of 5 mg/kg/day. Flexible docking and molecular dynamic simulations indicated that patchouli alcohol was bound to the neuraminidase protein of influenza virus, with an interaction energy of –40.38 kcal mol
<sup>–1</sup>
. The invariant key active-site residues Asp151, Arg152, Glu119, Glu276 and Tyr406 played important roles during the binding process. Based on spatial and energetic criteria, patchouli alcohol interfered with the NA functions. Results presented here suggest that patchouli alcohol possesses anti-influenza A (H2N2) virus properties, and therefore is a potential source of anti-influenza agents for the pharmaceutical industry.</p>
</abstract>
<kwd-group>
<kwd>patchouli alcohol</kwd>
<kwd>docking</kwd>
<kwd>neuraminidase</kwd>
<kwd>MTT</kwd>
<kwd>influenza virus</kwd>
<kwd>mice</kwd>
</kwd-group>
</article-meta>
</front>
</pmc>
<affiliations>
<list>
<country>
<li>République populaire de Chine</li>
</country>
</list>
<tree>
<country name="République populaire de Chine">
<noRegion>
<name sortKey="Wu, Huaxing" sort="Wu, Huaxing" uniqKey="Wu H" first="Huaxing" last="Wu">Huaxing Wu</name>
</noRegion>
<name sortKey="Jin, Mingyuan" sort="Jin, Mingyuan" uniqKey="Jin M" first="Mingyuan" last="Jin">Mingyuan Jin</name>
<name sortKey="Li, Beili" sort="Li, Beili" uniqKey="Li B" first="Beili" last="Li">Beili Li</name>
<name sortKey="Wang, Guonian" sort="Wang, Guonian" uniqKey="Wang G" first="Guonian" last="Wang">Guonian Wang</name>
<name sortKey="Wang, Xue" sort="Wang, Xue" uniqKey="Wang X" first="Xue" last="Wang">Xue Wang</name>
</country>
</tree>
</affiliations>
</record>

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