Computers help chemists fight emerging infections

August 21, 2007

Computer analysis of existing drugs may be key to fighting new infectious agents and antibiotic-resistant pathogens like deadly tuberculosis strains and staph ‘superbugs.’ Researchers in Canada say the use of such “emergency discovery” technology could save time, money and lives during a sudden outbreak or a bioterrorism attack. They reported here today at the 234th national meeting of the American Chemical Society.

Drug ‘repurposing’ or ‘reprofiling’ is not new: Pharmaceutical companies have been seeking new uses of old drugs to extend patent protections and whenever new, off-label uses of the drugs are found. But reprofiling to deliberately develop emergency drugs is a new concept, made possible by advances in chemoinformatics, a new field that merges chemistry with computer science, according to study presenter Artem Cherkasov, Ph.D., of the University of British Columbia in Vancouver, Canada. (EurekAlert)