Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry
T Dixon, D MacPherson, B Mostofian… - Nature …, 2022 - nature.com
Targeted protein degradation (TPD) is a promising approach in drug discovery for degrading
proteins implicated in diseases. A key step in this process is the formation of a ternary …
proteins implicated in diseases. A key step in this process is the formation of a ternary …
Structural characterization of degrader-induced ternary complexes using hydrogen–deuterium exchange mass spectrometry and computational modeling: implications …
SJ Eron, H Huang, RV Agafonov… - ACS Chemical …, 2021 - ACS Publications
The field of targeted protein degradation (TPD) has grown exponentially over the past
decade with the goal of developing therapies that mark proteins for destruction leveraging …
decade with the goal of developing therapies that mark proteins for destruction leveraging …
Biophysical and computational approaches to study ternary complexes: a 'cooperative relationship'to rationalize targeted protein degradation
JA Ward, C Perez‐Lopez, C Mayor‐Ruiz - ChemBioChem, 2023 - Wiley Online Library
Degraders have illustrated that compound‐induced proximity to E3 ubiquitin ligases can
prompt the ubiquitination and degradation of disease‐relevant proteins. Hence, this …
prompt the ubiquitination and degradation of disease‐relevant proteins. Hence, this …
Targeted protein degradation: advances, challenges, and prospects for computational methods
The therapeutic approach of targeted protein degradation (TPD) is gaining momentum due
to its potentially superior effects compared with protein inhibition. Recent advancements in …
to its potentially superior effects compared with protein inhibition. Recent advancements in …
Selectivity through Targeted Protein Degradation (TPD) Miniperspective
A Gopalsamy - Journal of Medicinal Chemistry, 2022 - ACS Publications
Targeted protein degradation has become a reliable tool in the medicinal chemist's toolbox,
as seen with rapid progression of PROTACs (proteolysis targeting chimeras) to clinic …
as seen with rapid progression of PROTACs (proteolysis targeting chimeras) to clinic …
Modeling the CRL4A ligase complex to predict target protein ubiquitination induced by cereblon-recruiting PROTACs
N Bai, KM Riching, A Makaju, H Wu, TM Acker… - Journal of Biological …, 2022 - ASBMB
PROteolysis TArgeting Chimeras (PROTACs) are hetero-bifunctional small molecules that
can simultaneously recruit target proteins and E3 ligases to form a ternary complex …
can simultaneously recruit target proteins and E3 ligases to form a ternary complex …
Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation
RP Wurz, H Rui, K Dellamaggiore… - Nature …, 2023 - nature.com
Targeted protein degradation via “hijacking” of the ubiquitin-proteasome system using
proteolysis targeting chimeras (PROTACs) has evolved into a novel therapeutic modality …
proteolysis targeting chimeras (PROTACs) has evolved into a novel therapeutic modality …
A kinetic proofreading model for bispecific protein degraders
DW Bartlett, AM Gilbert - Journal of pharmacokinetics and …, 2021 - Springer
Bispecific protein degraders (BPDs) engage the ubiquitin–proteasome system (UPS) to
catalytically degrade intracellular proteins through the formation of ternary complexes with …
catalytically degrade intracellular proteins through the formation of ternary complexes with …
Advancing targeted protein degradation via multiomics profiling and artificial intelligence
M Duran-Frigola, M Cigler… - Journal of the American …, 2023 - ACS Publications
Only around 20% of the human proteome is considered to be druggable with small-molecule
antagonists. This leaves some of the most compelling therapeutic targets outside the reach …
antagonists. This leaves some of the most compelling therapeutic targets outside the reach …
Molecular glues: the adhesive connecting targeted protein degradation to the clinic
Targeted protein degradation is a rapidly exploding drug discovery strategy that uses small
molecules to recruit disease-causing proteins for rapid destruction mainly via the ubiquitin …
molecules to recruit disease-causing proteins for rapid destruction mainly via the ubiquitin …
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