Avian Influenza Virus H5N1 Polymerase Subunit PB2 Capbinding Site Inhibitors

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Avian Influenza Virus H5N1 Polymerase Subunit PB2
Cap-binding Site Inhibitors

• Lihua (Vicky) Yang
• Universiti Sains Malaysia
• August 4, 2008

Botanical Garden
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Progress

• Insight II minimization on active site
• Dock H5N1 PB2 active-site model against the
  natural ligand, mGTP
• H5N1 PB2 active-site model is ready to dock
  against NADI and NCI Diversity Set

Batu Feringgi Beach
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Plans for the next two weeks

• Dock H5N1 PB2 active-site model to NADI and NCI
  Diversity Set
• Analyze the results

Batu Feringgi Beach
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Successes and Road Blocks

• I first struggled with building the model for my
  protein, H5N1 PB2 active-site
• Its natural ligand mGTP would not bind to the
  active site in the right conformation
• After comparing the model structure with the
  crystal structure via VMD, I found out that
  energy minimization using MODELLER VTFM caused
  the binding pocket to shrink therefore, it is
  too small for the ligand to go in.
• I took the model that I made with out MODELLER
  VTFM and performed energy minimization using
  Insight II

USM campus
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Cultural Experience
Botanical Garden
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Cultural Experience
Langkawi Island