SDSC debuts 'Image of the Month' series

Computerized Visualizations Highlight Broad Spectrum of Research: The San Diego Supercomputer Center at UC San Diego has announced the debut of its “Image of the Month” series, which highlights computerized visualizations within a broad array of research being conducted or enabled by the Center’s experts or resources. This month’s image represents a simulation of an enzyme associated with Avian influenza, which some fear may one day trigger a world-wide pandemic. The simulation was performed on SDSC’s DataStar by Rommie Amaro, a postdoctoral fellow in the laboratory of J. Andrew McCammon at UC San Diego. Fighting Bird Flu To ward off avian influenza, which some fear may one day trigger a world-wide pandemic, researchers are scurrying to develop new flu drugs to complement the current arsenal which includes Tamiflu and Relenza. In a paper published in the Journal of the American Chemical Society, a team led by UC biochemists described the nanosecond-by-nanosecond movements of a key enzyme called N1, needed to spread the infection to new cells. The simulation, performed on SDSC’s DataStar supercomputer, described the interaction of two chemical “loops” in creating a “hot pocket” region that could represent a potential target for new drugs capable of blocking N1’s activity. The image here shows N1, with the anti-viral Tamiflu bound in the active sites (silver). Rommie Amaro, a postdoctoral fellow in the UCSD laboratory of J. Andrew McCammon, said her group has identified several potential inhibitors of interest. Image: R. Amaro, UCSD Source: San Diego Supercomputer Center, UC San Diego SDSC’s “Image of the Month” will be updated before the 10th of every month.