Drug discovery against H1N1 virus (influenza A virus) via computational virtual screening approach
DSpace at IIT Bombay
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Title |
Drug discovery against H1N1 virus (influenza A virus) via computational virtual screening approach
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Creator |
SHARMA, A
TENDULKAR, AV WANGIKAR, PP |
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Subject |
FLU
OSELTAMIVIR INFECTION DOCKING H1N1 influenza virus Swine flu Antiviral compound Docking Oseltamivir (Tamiflu) Hesperidin Narirutin |
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Description |
The H1N1 virus is the causative agent of the recent outbreak of Swine flu pandemic. Neuraminidase is an enzyme that cleave glycosidic linkage of neuraminic acid on viral cell surface and is known to occur as antigen determinant to evoke immune response in host cell. It plays an important role in life cycle of influenza virus. Inhibitors of neuraminidase are, therefore, believed to have a potential in development of new drugs against swine flu. Using a recently published model structure of neuraminidase, we have carried out virtual screening of 70 compounds obtained from Ligand databases. The ligands library also included 57 natural plant metabolites from medicinal plants. The virtual screening was performed via PatchDock & GemDock softwares. Two of the plant metabolites, Hesperidin & Narirutin showed significantly higher docking score than the currently marketed anti-influenza drug Oseltamivir (Tamiflu).
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Publisher |
BIRKHAUSER BOSTON INC
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Date |
2012-06-26T05:09:50Z
2012-06-26T05:09:50Z 2011 |
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Type |
Article
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Identifier |
MEDICINAL CHEMISTRY RESEARCH,20(9)1445-1449
1054-2523 http://dx.doi.org/10.1007/s00044-010-9375-5 http://dspace.library.iitb.ac.in/jspui/handle/100/13932 |
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Language |
English
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