Discovery of Hsp70 inhibitors for allosteric dissociation of the Hsp70/BAG3 complex via structure-based de novo design.

Hang Wang; Tong Ji; Jingjing Liu; Yao Tang; Linjie Yuan; Yafei Guo; Hao Pan; Qishuang Gao

doi:10.1016/j.bmc.2026.118682

April 30, 2026

Discovery of Hsp70 inhibitors for allosteric dissociation of the Hsp70/BAG3 complex via structure-based de novo design.

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Key Points

The study aims to identify Hsp70 inhibitors that can disrupt the Hsp70/BAG3 protein-protein interaction using a structure-based approach.
Structure-based design to identify Hsp70 inhibitors.
N NMR studies to evaluate binding and efficacy of inhibitors in cells.
Assessment of antiproliferative activity against MCF-7 cancer cells.
HAFI-11 binds to Hsp70 in cells, promoting dissociation of the Hsp70/BAG3 complex more effectively than MKT-077.
HAFI-11 shows significant antiproliferative activity in the micro-molar range against MCF-7 cancer cells.

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Abstract

N NMR studies. HAFI-11 binds to Hsp70 directly in cells and promotes the dissociation of the Hsp70/BAG3 PPI with stronger efficacy than MKT-077 did. Finally, HAFI-11 exhibits efficient antiproliferative activities in the μM range against MCF-7 cancer cells.

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Wang et al. (2026) studied this question.

synapsesocial.com/papers/69f988be15588823dae179ec https://doi.org/10.1016/j.bmc.2026.118682

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Discovery of Hsp70 inhibitors for allosteric dissociation of the Hsp70/BAG3 complex via structure-based de novo design.

Key Points

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Abstract

Discussion

Cite This Study

Discovery of Hsp70 inhibitors for allosteric dissociation of the Hsp70/BAG3 complex via structure-based de novo design.

Key Points

Ask about this paper

Abstract

Discussion

Cite This Study

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