[HTML][HTML] Merging ligand-based and structure-based methods in drug discovery: An overview of combined virtual screening approaches
Virtual screening (VS) is an outstanding cornerstone in the drug discovery pipeline. A variety
of computational approaches, which are generally classified as ligand-based (LB) and …
of computational approaches, which are generally classified as ligand-based (LB) and …
Protein-protein interaction modulators: advances, successes and remaining challenges
Modulating disease-relevant protein-protein interactions (PPIs) using small-molecule
inhibitors is a quite indispensable diagnostic and therapeutic strategy in averting …
inhibitors is a quite indispensable diagnostic and therapeutic strategy in averting …
A central chaperone-like role for 14-3-3 proteins in human cells
D Segal, S Maier, GJ Mastromarco, WW Qian… - Molecular cell, 2023 - cell.com
3-3 proteins are highly conserved regulatory proteins that interact with hundreds of
structurally diverse clients and act as central hubs of signaling networks. However, how 14-3 …
structurally diverse clients and act as central hubs of signaling networks. However, how 14-3 …
[HTML][HTML] Defining molecular glues with a dual-nanobody cannabidiol sensor
Abstract “Molecular glue”(MG) is a term coined to describe the mechanism of action of the
plant hormone auxin and subsequently used to characterize synthetic small molecule …
plant hormone auxin and subsequently used to characterize synthetic small molecule …
[HTML][HTML] Structural insights into the functional roles of 14-3-3 proteins
V Obsilova, T Obsil - Frontiers in molecular biosciences, 2022 - frontiersin.org
Signal transduction cascades efficiently transmit chemical and/or physical signals from the
extracellular environment to intracellular compartments, thereby eliciting an appropriate …
extracellular environment to intracellular compartments, thereby eliciting an appropriate …
Structure-based stabilization of non-native protein–protein interactions of coronavirus nucleocapsid proteins in antiviral drug design
SM Lin, SC Lin, JN Hsu, C Chang… - Journal of medicinal …, 2020 - ACS Publications
Structure-based stabilization of protein–protein interactions (PPIs) is a promising strategy for
drug discovery. However, this approach has mainly focused on the stabilization of native …
drug discovery. However, this approach has mainly focused on the stabilization of native …
Synthesis of (−)-cotylenol, a 14-3-3 molecular glue component
SI Ting, DW Snelson, TR Huffman… - Journal of the …, 2023 - ACS Publications
Small molecules that modulate the 14-3-3 protein–protein interaction (PPI) network
represent valuable therapeutics and tool compounds. However, access has been lost to 14 …
represent valuable therapeutics and tool compounds. However, access has been lost to 14 …
Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3σ/ERα Protein–Protein Interaction from Nonselective Fragments
M Konstantinidou, EJ Visser… - Journal of the …, 2023 - ACS Publications
The stabilization of protein–protein interactions (PPIs) has emerged as a promising strategy
in chemical biology and drug discovery. The identification of suitable starting points for …
in chemical biology and drug discovery. The identification of suitable starting points for …
[HTML][HTML] Ultra-large chemical libraries for the discovery of high-affinity peptide binders
AJ Quartararo, ZP Gates, BA Somsen… - Nature …, 2020 - nature.com
High-diversity genetically-encoded combinatorial libraries (108− 1013 members) are a rich
source of peptide-based binding molecules, identified by affinity selection. Synthetic libraries …
source of peptide-based binding molecules, identified by affinity selection. Synthetic libraries …
Reversible dual-covalent molecular locking of the 14-3-3/ERRγ protein–protein interaction as a molecular glue drug discovery approach
BA Somsen, RJC Schellekens… - Journal of the …, 2023 - ACS Publications
Molecules that stabilize protein–protein interactions (PPIs) are invaluable as tool
compounds for biophysics and (structural) biology, and as starting points for molecular glue …
compounds for biophysics and (structural) biology, and as starting points for molecular glue …