Abstract
Allosteric regulation represents a novel mechanism of drug action that fine-tunes protein functional activity. Allosteric modulators, by targeting allosteric sites, have gained increasing attention as potential therapeutic agents due to their remarkable advantages over orthosteric ligands that target orthosteric sites. Over the past few years, allosteric modulators have witnessed significant development. Here, we outline the distribution and properties of allosteric targets, the chemical structure, physicochemical properties, and privileged scaffolds of allosteric modulators, allosteric protein–ligand interactions, and the mechanisms of allosteric drug action, aiming to provide universal principles shared by allosteric modulators that can contribute to allosteric drug discovery.
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