Computer Simulations Developed by OSU Researchers May Help Speed Process of Bringing New Drug Therapies to Market

Researchers at OSU have developed methods of using powerful computer simulations to identify molecules that have the highest potential to serve as the basis for new medicines. 

Most drugs act on malfunctioning proteins that lead to damage and disease in the body.  The active ingredient in these drugs is typically a single molecule that can interact with the protein and correct or stop the malfunction.  But identifying this molecule is not always easy.  Previous methods of identifying these molecules have been mostly trial and error – a process that is tedious, time-consuming, and error-prone.

Scientist Chenglong Li, assistant professor of chemistry and pharmacognosy and senior author of the study, says by using powerful computer simulations, it is easier and faster to identify the molecules, and thus significantly reduce the time it takes to develop new drug therapies.

The study is being published in the Journal of Computational Chemistry this month.

For more details, see the release from OSU