Molecules of the Mind: Digital Design

Abstract shared by Professor Brandt:
Psychedelics like psilocybin and MDMA are showing promise for treating depression and PTSD, but they also raise big questions about safety, access, and how they work in the brain. In this talk, I’ll share how we use 3D models of brain receptors and computer simulations to design new molecules inspired by psychedelics, with the goal of keeping their therapeutic benefits while reducing some of their risks. I’ll walk through one project from my lab, from modeling a receptor structure to screening millions of virtual compounds and narrowing them down to a few promising candidates that chemists can actually make. Along the way, I’ll talk about what these tools can and can’t do—and how they might change the future of mental health treatment.

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