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Computers fight emerging infections


Published: Aug. 20, 2007 at 1:01 PM
VANCOUVER, British Columbia, Aug. 20 (UPI) -- Canadian scientists say computer analysis of drugs might be key to fighting new infectious agents in an outbreak or during a bioterrorism attack.

The researchers said the use of such "emergency discovery" technology could save time, money and lives.

So-called drug re-purposing or re-profiling is used by pharmaceutical companies in seeking new uses of old drugs to extend patent protections and whenever new, off-label uses of the drugs are found.

But study leader Artem Cherkasov of the University of British Columbia-Vancouver said re-profiling to deliberately develop emergency drugs is a new concept, made possible by advances in chemoinformatics, a new field that merges chemistry with computer science.

"In the case of new infectious threats, there might be no time to develop a completely new drug from the ground up, as the corresponding toxicological studies and regulatory investigations will take years to complete properly," Cherkasov said. "Finding an already existing, well-studied therapeutic agent that will kill an emerging bug might provide a rapid, 'first line of defense' response option."

The researchers reported their findings Sunday in Boston during the 234th national meeting of the American Chemical Society.


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