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 …
Targeted protein degradation: current and emerging approaches for E3 ligase deconvolution
Targeted protein degradation (TPD), including the use of proteolysis-targeting chimeras
(PROTACs) and molecular glue degraders (MGDs) to degrade proteins, is an emerging …
(PROTACs) and molecular glue degraders (MGDs) to degrade proteins, is an emerging …
Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders
Targeted protein degradation is a novel pharmacology established by drugs that recruit
target proteins to E3 ubiquitin ligases. Based on the structure of the degrader and the target …
target proteins to E3 ubiquitin ligases. Based on the structure of the degrader and the target …
Mechanism of degrader-targeted protein ubiquitinability
C Crowe, MA Nakasone, S Chandler, C Craigon… - Science …, 2024 - science.org
Small-molecule degraders of disease-driving proteins offer a clinically proven modality with
enhanced therapeutic efficacy and potential to tackle previously undrugged targets. Stable …
enhanced therapeutic efficacy and potential to tackle previously undrugged targets. Stable …
An efficient path classification algorithm based on variational autoencoder to identify metastable path channels for complex conformational changes
Conformational changes (ie, dynamic transitions between pairs of conformational states)
play important roles in many chemical and biological processes. Constructing the Markov …
play important roles in many chemical and biological processes. Constructing the Markov …
Benchmarking methods for PROTAC ternary complex structure prediction
E Rovers, M Schapira - Journal of Chemical Information and …, 2024 - ACS Publications
Proteolysis targeting chimeras (PROTACs) are bifunctional compounds that recruit an E3
ligase to a target protein to induce ubiquitination and degradation of the target. Rational …
ligase to a target protein to induce ubiquitination and degradation of the target. Rational …
The potential of cross-linking mass spectrometry in the development of protein–protein interaction modulators
Cross-linking mass spectrometry (XL-MS) can provide a wealth of information on
endogenous protein–protein interaction (PPI) networks and protein binding interfaces …
endogenous protein–protein interaction (PPI) networks and protein binding interfaces …
Lysineless HiBiT and NanoLuc tagging systems as alternative tools for monitoring targeted protein degradation
Target protein degradation (TPD) has emerged as a revolutionary approach in drug
discovery, leveraging the cell's intrinsic machinery to selectively degrade disease …
discovery, leveraging the cell's intrinsic machinery to selectively degrade disease …
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 …
Protein–protein interfaces in molecular glue-induced ternary complexes: classification, characterization, and prediction
H Rui, KS Ashton, J Min, C Wang, PR Potts - RSC Chemical Biology, 2023 - pubs.rsc.org
Molecular glues are a class of small molecules that stabilize the interactions between
proteins. Naturally occurring molecular glues are present in many areas of biology where …
proteins. Naturally occurring molecular glues are present in many areas of biology where …