The mode of binding and cellular effect of the first FOXO3-DNA-binding-domain targeting small compound discovered by a combined pharmacophore-based/biochemical screening approach is reported.

Cryo-electron microscopic structures of 5-HT₃A receptor in complex with first and second generations of clinically used setron reveal the molecular basis for their binding modes and mechanisms of inhibitory action.

Exploiting virus-encoded ion channels as drug targets drove a multi-faceted approach to deriving potent small molecules targeting HCV p7, simultaneously providing new insights into its fundamental biology.

A computational method that can screen thousands of chemicals and predict which odorants will interact with specific odorant receptors in flies may ultimately aid the development of more effective insect repellents.

Conserved contacts on cognate ligands trigger an induced fit pathway that confers selective promiscuity to PD-1, a flexible regulatory protein and promising anticancer target.

By using structural methods to screen compounds for their ability to interact with amyloid beta, researchers have identified small molecules that stabilize amyloid fibers and reduce the toxic effect of smaller aggregates on cells.

Pyridine-based allosteric inhibitors selectively target HIV-1 integrase tetramers and exhibit enhanced antiviral activity against a dolutegravir resistant mutant virus indicating potential clinical benefits for combining these two classes of inhibitors.

Small molecule inhibitors identified in a biophysical high-throughout screening assay confirm the importance of the interaction between single-stranded DNA and the protein RAD52 for the survival of BRCA2-depleted cells.