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- W4294761837 abstract "Fragment-based ligand discovery was successfully applied to histone deacetylase HDAC2. In addition to the anticipated hydroxamic acid- and benzamide-based fragment screening hits, a low affinity (∼1 mM) α-amino-amide zinc binding fragment was identified, as well as fragments binding to other regions of the catalytic site. This alternative zinc-binding fragment was further optimized, guided by the structural information from protein-ligand complex X-ray structures, into a sub-μM, brain penetrant, HDAC2 inhibitor (17) capable of modulating histone acetylation levels in vivo." @default.
- W4294761837 created "2022-09-06" @default.
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- W4294761837 date "2022-09-06" @default.
- W4294761837 modified "2023-10-15" @default.
- W4294761837 title "Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor" @default.
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- W4294761837 doi "https://doi.org/10.1021/acsmedchemlett.2c00272" @default.
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