In silico analysis of compounds from Stemona tuberosa as an inhibitor for N1 neuraminidase of H5N1 avian virus
The worldwide spread of H5N1 avian influenza has raised concerns that this virus might acquire the ability to pass readily among humans and cause a pandemic.Two anti-influenza drugs currently being used to treat the infected patients are oseltamivir (Tamiflu) and zanamivir (Relenza), both of which t...
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| Format: | Article |
| Language: | English |
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Instituto de Tecnologia do Paraná (Tecpar)
2013-02-01
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| Series: | Brazilian Archives of Biology and Technology |
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| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-89132013000100003 |
| _version_ | 1811274855018921984 |
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| author | Abhilash Manohar |
| author_facet | Abhilash Manohar |
| author_sort | Abhilash Manohar |
| collection | DOAJ |
| description | The worldwide spread of H5N1 avian influenza has raised concerns that this virus might acquire the ability to pass readily among humans and cause a pandemic.Two anti-influenza drugs currently being used to treat the infected patients are oseltamivir (Tamiflu) and zanamivir (Relenza), both of which target the neuraminidase enzyme of the virus. Reports of the emergence of drug resistance has made the development of new anti-influenza molecules a priority. Various compounds present in Stemona tuberosa a plant belonging to Stemonaceae family was tested for activity against H5N1 neuraminidase. Eight one molecules including stilbenoids, bibenzyls and various others were selected as probable compounds for lead molecules. These lead molecules were tested for toxicity tests and Lipinski rule in Pre ADMET server. Around 33 compounds cleared all these tests. Validated ligand molecules were docked against H5NI Neuraminidase active site residues using AUTODOCK 4 which showed better results in comparison with zanamivir and oseltamivir, anti- influenza drugs. |
| first_indexed | 2024-04-12T23:27:39Z |
| format | Article |
| id | doaj.art-f66a766baa114f22a87411e25fa6e211 |
| institution | Directory Open Access Journal |
| issn | 1516-8913 1678-4324 |
| language | English |
| last_indexed | 2024-04-12T23:27:39Z |
| publishDate | 2013-02-01 |
| publisher | Instituto de Tecnologia do Paraná (Tecpar) |
| record_format | Article |
| series | Brazilian Archives of Biology and Technology |
| spelling | doaj.art-f66a766baa114f22a87411e25fa6e2112022-12-22T03:12:23ZengInstituto de Tecnologia do Paraná (Tecpar)Brazilian Archives of Biology and Technology1516-89131678-43242013-02-015612125In silico analysis of compounds from Stemona tuberosa as an inhibitor for N1 neuraminidase of H5N1 avian virusAbhilash ManoharThe worldwide spread of H5N1 avian influenza has raised concerns that this virus might acquire the ability to pass readily among humans and cause a pandemic.Two anti-influenza drugs currently being used to treat the infected patients are oseltamivir (Tamiflu) and zanamivir (Relenza), both of which target the neuraminidase enzyme of the virus. Reports of the emergence of drug resistance has made the development of new anti-influenza molecules a priority. Various compounds present in Stemona tuberosa a plant belonging to Stemonaceae family was tested for activity against H5N1 neuraminidase. Eight one molecules including stilbenoids, bibenzyls and various others were selected as probable compounds for lead molecules. These lead molecules were tested for toxicity tests and Lipinski rule in Pre ADMET server. Around 33 compounds cleared all these tests. Validated ligand molecules were docked against H5NI Neuraminidase active site residues using AUTODOCK 4 which showed better results in comparison with zanamivir and oseltamivir, anti- influenza drugs.http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-89132013000100003H5N1 Avian virusNeuraminidase inhibiotorsStemona tuberosaDocking analysis |
| spellingShingle | Abhilash Manohar In silico analysis of compounds from Stemona tuberosa as an inhibitor for N1 neuraminidase of H5N1 avian virus Brazilian Archives of Biology and Technology H5N1 Avian virus Neuraminidase inhibiotors Stemona tuberosa Docking analysis |
| title | In silico analysis of compounds from Stemona tuberosa as an inhibitor for N1 neuraminidase of H5N1 avian virus |
| title_full | In silico analysis of compounds from Stemona tuberosa as an inhibitor for N1 neuraminidase of H5N1 avian virus |
| title_fullStr | In silico analysis of compounds from Stemona tuberosa as an inhibitor for N1 neuraminidase of H5N1 avian virus |
| title_full_unstemmed | In silico analysis of compounds from Stemona tuberosa as an inhibitor for N1 neuraminidase of H5N1 avian virus |
| title_short | In silico analysis of compounds from Stemona tuberosa as an inhibitor for N1 neuraminidase of H5N1 avian virus |
| title_sort | in silico analysis of compounds from stemona tuberosa as an inhibitor for n1 neuraminidase of h5n1 avian virus |
| topic | H5N1 Avian virus Neuraminidase inhibiotors Stemona tuberosa Docking analysis |
| url | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-89132013000100003 |
| work_keys_str_mv | AT abhilashmanohar insilicoanalysisofcompoundsfromstemonatuberosaasaninhibitorforn1neuraminidaseofh5n1avianvirus |