Inhibitory effect and possible mechanism of action of patchouli alcohol against influenza A (H2N2) virus.
Identifieur interne : 000165 ( PubMed/Corpus ); précédent : 000164; suivant : 000166Inhibitory effect and possible mechanism of action of patchouli alcohol against influenza A (H2N2) virus.
Auteurs : Huaxing Wu ; Beili Li ; Xue Wang ; Mingyuan Jin ; Guonian WangSource :
- Molecules (Basel, Switzerland) [ 1420-3049 ] ; 2011.
English descriptors
- KwdEn :
- Administration, Oral, Animals, Antiviral Agents (pharmacology), Antiviral Agents (therapeutic use), Binding Sites, Cell Line, Cell Survival (drug effects), Dogs, Influenza A Virus, H2N2 Subtype (drug effects), Influenza A Virus, H2N2 Subtype (growth & development), Inhibitory Concentration 50, Mice, Mice, Inbred Strains, Molecular Dynamics Simulation, Neuraminidase (antagonists & inhibitors), Neuraminidase (chemistry), Neuraminidase (metabolism), Orthomyxoviridae Infections (drug therapy), Orthomyxoviridae Infections (mortality), Orthomyxoviridae Infections (pathology), Orthomyxoviridae Infections (virology), Oseltamivir (pharmacology), Protein Binding, Protein Interaction Domains and Motifs, Protein Structure, Secondary, Sesquiterpenes (pharmacology), Sesquiterpenes (therapeutic use), Survival Rate, Thermodynamics, Virus Replication (drug effects).
- MESH :
- chemical , antagonists & inhibitors : Neuraminidase.
- chemical , chemistry : Neuraminidase.
- chemical , metabolism : Neuraminidase.
- chemical , pharmacology : Antiviral Agents, Oseltamivir, Sesquiterpenes.
- chemical , therapeutic use : Antiviral Agents, Sesquiterpenes.
- drug effects : Cell Survival, Influenza A Virus, H2N2 Subtype, Virus Replication.
- drug therapy : Orthomyxoviridae Infections.
- growth & development : Influenza A Virus, H2N2 Subtype.
- mortality : Orthomyxoviridae Infections.
- pathology : Orthomyxoviridae Infections.
- virology : Orthomyxoviridae Infections.
- Administration, Oral, Animals, Binding Sites, Cell Line, Dogs, Inhibitory Concentration 50, Mice, Mice, Inbred Strains, Molecular Dynamics Simulation, Protein Binding, Protein Interaction Domains and Motifs, Protein Structure, Secondary, Survival Rate, Thermodynamics.
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.
DOI: 10.3390/molecules16086489
PubMed: 21814161
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Infections</term></keywords><keywords scheme="MESH" qualifier="pathology" xml:lang="en"><term>Orthomyxoviridae Infections</term></keywords><keywords scheme="MESH" qualifier="virology" xml:lang="en"><term>Orthomyxoviridae Infections</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Administration, Oral</term><term>Animals</term><term>Binding Sites</term><term>Cell Line</term><term>Dogs</term><term>Inhibitory Concentration 50</term><term>Mice</term><term>Mice, Inbred Strains</term><term>Molecular Dynamics Simulation</term><term>Protein Binding</term><term>Protein Interaction Domains and Motifs</term><term>Protein Structure, Secondary</term><term>Survival Rate</term><term>Thermodynamics</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">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.</div></front></TEI><pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">21814161</PMID><DateCompleted><Year>2011</Year><Month>11</Month><Day>18</Day></DateCompleted><DateRevised><Year>2018</Year><Month>12</Month><Day>17</Day></DateRevised><Article PubModel="Electronic"><Journal><ISSN IssnType="Electronic">1420-3049</ISSN><JournalIssue CitedMedium="Internet"><Volume>16</Volume><Issue>8</Issue><PubDate><Year>2011</Year><Month>Aug</Month><Day>03</Day></PubDate></JournalIssue><Title>Molecules (Basel, Switzerland)</Title><ISOAbbreviation>Molecules</ISOAbbreviation></Journal><ArticleTitle>Inhibitory effect and possible mechanism of action of patchouli alcohol against influenza A (H2N2) virus.</ArticleTitle><Pagination><MedlinePgn>6489-501</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.3390/molecules16086489</ELocationID><Abstract><AbstractText>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.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Wu</LastName><ForeName>Huaxing</ForeName><Initials>H</Initials><AffiliationInfo><Affiliation>Department of Endoscopy, the Third Affiliated Hospital, Harbin Medical University, Harbin 150040, China.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Li</LastName><ForeName>Beili</ForeName><Initials>B</Initials></Author><Author ValidYN="Y"><LastName>Wang</LastName><ForeName>Xue</ForeName><Initials>X</Initials></Author><Author ValidYN="Y"><LastName>Jin</LastName><ForeName>Mingyuan</ForeName><Initials>M</Initials></Author><Author 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