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Article

Chemical validation of a druggable site on Hsp27/HSPB1 using in silico solvent mapping and biophysical methods.

Bioorganic & medicinal chemistry - 15 Mar 2021

Makley Leah N, Johnson Oleta T, Ghanakota Phani, Rauch Jennifer N, Osborn Delaney, Wu Taia S, Cierpicki Tomasz, Carlson Heather A, Gestwicki Jason E

Abstract excerpt

Destabilizing mutations in small heat shock proteins (sHsps) are linked to multiple diseases; however, sHsps are conformationally dynamic, lack enzymatic function and have no endogenous chemical ligands. These factors render sHsps as classically "undruggable" targets and make it particularly challenging to identify molecules that might bind and stabilize them. To explore potential solutions, we designed a...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 33549906
DOI: 10.1016/j.bmc.2020.115990
PMCID: PMC7968374

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