AI structure prediction speeds discovery of 'molecular glues' to treat disease

A Baylor College of Medicine-led team has developed a strategy that combines the analysis of thousands of proteins with artificial intelligence to accelerate the discovery of small molecules called molecular glues to treat disease. Their approach, published in Nature Communications, has uncovered a new class of molecular glues that could neutralize harmful proteins linked to blood cancers and autoimmune diseases. The work also shows how AI-based structural modeling can help chemists optimize compounds well before experiments reveal how they work.

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