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Review_ChemBioChem_CMayor-Ruiz_2023.pdf (1.82 MB)

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2023-04-05

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Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/197102

Biophysical and computational approaches to study ternary complexes: A 'cooperative relationship' to rationalize targeted protein degradation

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Recurs relacionat

https://doi.org/10.1002/cbic.202300163

Resum

Degraders have illustrated that compound-induced proximity to E3 ubiquitin ligases can prompt the ubiquitination and degradation of disease-relevant proteins. Hence, this pharmacology is becoming a promising alternative and complement to available therapeutic interventions (e.g., inhibitors). Degraders rely on protein binding instead of inhibition and, hence, they hold the promise to broaden the druggable proteome. Biophysical and structural biology approaches have been the cornerstone of understanding and rationalizing degrader-induced ternary complex formation. Computational models have now started to harness the experimental data from these approaches with the aim to identify and rationally help design new degraders. This review outlines the current experimental and computational strategies used to study ternary complex formation and degradation and highlights the importance of effective crosstalk between these approaches in the advancement of the targeted protein degradation (TPD) field. As our understanding of the molecular features that govern drug-induced interactions grows, faster optimizations and superior therapeutic innovations for TPD and other proximity-inducing modalities are sure to follow.

Matèries

Biologia computacional, Biofísica, Proteïnes

Matèries (anglès)

Computational biology, Biophysics, Proteins

Citació

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Articles publicats en revistes (Institut de Recerca Biomèdica (IRB Barcelona))

Citació

WARD, Jake a., PEREZ LOPEZ, Carles, MAYOR-RUIZ, Cristina. Biophysical and computational approaches to study ternary complexes: A 'cooperative relationship' to rationalize targeted protein degradation. _Chembiochem_. 2023. Vol. e202300163. [consulta: 24 de desembre de 2025]. ISSN: 1439-7633. [Disponible a: https://hdl.handle.net/2445/197102]

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