8 results found
    1. Biochemistry and Chemical Biology
    2. Structural Biology and Molecular Biophysics

    Modulating FOXO3 transcriptional activity by small, DBD-binding molecules

    Judith Hagenbuchner et al.
    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.
    1. Biochemistry and Chemical Biology
    2. Structural Biology and Molecular Biophysics

    High-resolution structures of multiple 5-HT3AR-setron complexes reveal a novel mechanism of competitive inhibition

    Sandip Basak et al.
    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.
    1. Biochemistry and Chemical Biology
    2. Microbiology and Infectious Disease

    Rationally derived inhibitors of hepatitis C virus (HCV) p7 channel activity reveal prospect for bimodal antiviral therapy

    Joseph Shaw et al.
    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.
    1. Neuroscience

    Expanding the olfactory code by in silico decoding of odor-receptor chemical space

    Sean Michael Boyle et al.
    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.
    1. Physics of Living Systems
    2. Computational and Systems Biology

    Probing protein flexibility reveals a mechanism for selective promiscuity

    Nicolas A Pabon, Carlos J Camacho
    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.
    1. Structural Biology and Molecular Biophysics

    Structure-based discovery of fiber-binding compounds that reduce the cytotoxicity of amyloid beta

    Lin Jiang et al.
    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.
    1. Microbiology and Infectious Disease

    HIV-1 integrase tetramers are the antiviral target of pyridine-based allosteric integrase inhibitors

    Pratibha C Koneru et al.
    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.
    1. Biochemistry and Chemical Biology
    2. Chromosomes and Gene Expression

    Small-molecule inhibitors identify the RAD52-ssDNA interaction as critical for recovery from replication stress and for survival of BRCA2 deficient cells

    Sarah R Hengel et al.
    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.

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