Molecular chameleons can adapt their conformations to fit various protein targets

What is it about?

This study explores how molecular chameleons, which are drug molecules with intrinsic dynamic structural flexibility, interact with diverse proteins by altering their shape. These bioactive molecules can adjust their conformations and overall architecture to accommodate different environments and fit the binding sites of various protein targets.

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Why is it important?

Molecular chameleonicity is commonly used to describe how orally available drugs achieve both good aqueous solubility and efficient cell membrane permeability. Here, we demonstrate that this group of molecules change their conformations to bind to diverse protein binding sites. This insight provides valuable opportunities for drug optimization and repurposing.