Medicinal Chemistry Research

, Volume 20, Issue 9, pp 1445–1449 | Cite as

Drug discovery against H1N1 virus (influenza A virus) via computational virtual screening approach

  • Ashwani Sharma
  • Ashish V. Tendulkar
  • Pramod P. WangikarEmail author
Original Research


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).


H1N1 influenza virus Swine flu Antiviral compound Docking Oseltamivir (Tamiflu) Hesperidin Narirutin 



Ashwani Sharma is grateful to Council of Scientific and Industrial Research (CSIR) for his research fellowship. Ashish V. Tendulkar gratefully acknowledges support from Department of Biotechnology Govt. of India through Innovative Young Biotechnologist Award 2008.

Supplementary material

44_2010_9375_MOESM1_ESM.xls (28 kb)
Supplementary material 1 (XLS 28 kb)


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Copyright information

© Springer Science+Business Media, LLC 2010

Authors and Affiliations

  • Ashwani Sharma
    • 1
  • Ashish V. Tendulkar
    • 2
  • Pramod P. Wangikar
    • 3
    Email author
  1. 1.Department of Bioscience and BioengineeringIndian Institute of Technology BombayMumbaiIndia
  2. 2.Department of Computer Science and EngineeringIndian Institute of Technology MadrasChennaiIndia
  3. 3.Department of Chemical EngineeringIndian Institute of Technology BombayMumbaiIndia

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