THE USE OF 3D ENVIRONMENT TO TEACH LIGAND-PROTEIN INTERACTIONS

The use of 3D visualization is a powerful tool for teaching chemistry. At the Faculty of Chemistry, (Universidad Nacional Autonoma de Mexico) UNAM, we have implemented several courses with the aid of 3D visualization with videos, to teach the interaction of ligands with proteins. During our course, we teach students to perform the docking of the ligand, inside the active site of the neuraminidase, and simulate mutations of the amino acids at the active sites in different positions, to evaluate the efficiency of the antiviral drugs in mutated influenza virus.

[1]  George F. Gao,et al.  Structural and Functional Analysis of Laninamivir and its Octanoate Prodrug Reveals Group Specific Mechanisms for Influenza NA Inhibition , 2011, PLoS pathogens.

[2]  A. Monto,et al.  Influenza viruses resistant to the antiviral drug oseltamivir: transmission studies in ferrets. , 2004, The Journal of infectious diseases.

[3]  A. Monto,et al.  Influenza virus carrying an R292K mutation in the neuraminidase gene is not transmitted in ferrets. , 2002, Antiviral research.

[4]  J. Oxford,et al.  The H274Y mutation in the influenza A/H1N1 neuraminidase active site following oseltamivir phosphate treatment leave virus severely compromised both in vitro and in vivo. , 2002, Antiviral research.

[5]  P. Colman.  New antivirals and drug resistance. , 2009, Annual review of biochemistry.

[6]  David W. Smith,et al.  Characteristics of a Widespread Community Cluster of H275Y Oseltamivir-Resistant A(H1N1)pdm09 Influenza in Australia , 2012, The Journal of infectious diseases.

[7]  G. Kochs,et al.  Oseltamivir-Resistant Variants of the 2009 Pandemic H1N1 Influenza A Virus Are Not Attenuated in the Guinea Pig and Ferret Transmission Models , 2010, Journal of Virology.

[8]  Michael Shaw,et al.  Analysis of influenza viruses from patients clinically suspected of infection with an oseltamivir resistant virus during the 2009 pandemic in the United States. , 2012, Antiviral research.

[9]  C. Rius-Alonso,et al.  THE USE OF STEREOSCOPIC TOOLS (3D) TO TEACH STEREOCHEMISTRY , 2011 .

[10]  Keehyoung Joo,et al.  Improving physical realism, stereochemistry, and side‐chain accuracy in homology modeling: Four approaches that performed well in CASP8 , 2009, Proteins.

[11]  M. Zambon.  Surveillance for antiviral resistance , 2013, Influenza and other respiratory viruses.