Monoamine transporters (MATs) play an important role in controlling the levels of neurotransmitters in the synaptic cleft.  Until recently, identifying inhibitors of MATs has been by trial and error on the ligands developed due to the lack of a experimental crystal structure.  Using  comparative 3D models, a structure-based drug-discovery search for new compounds has been developed for the dopamine and serotonin transporters.  The computational, pharmacological, and medicinal chemistry approach to MAT ligand discovery will likely yield new therapeutics for addiction, depression, anxiety, ADHD, schizophrenia, narcolepsy, and Parkinson's disease.  Current progress using our approach will be presented.

Structure-based virtual screening for monoamine transporter inhibitors

243rd National Meeting (2012)

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