Technologies of targeting histone deacetylase in drug discovery: Current progress and emerging prospects
J Ru, Y Wang, Z Li, J Wang, C Ren, J Zhang - European Journal of …, 2023 - Elsevier
Histone deacetylases (HDACs) catalyze the hydrolysis of acetyl-l-lysine side chains in
histones and non-histones, which are key to epigenetic regulation in humans. Targeting …
histones and non-histones, which are key to epigenetic regulation in humans. Targeting …
Mapping the binding sites of challenging drug targets
An increasing number of medically important proteins are challenging drug targets because
their binding sites are too shallow or too polar, are cryptic and thus not detectable without a …
their binding sites are too shallow or too polar, are cryptic and thus not detectable without a …
Virtual screening and molecular dynamics simulations provide insight into repurposing drugs against SARS-CoV-2 variants Spike protein/ACE2 interface
After over two years of living with Covid-19 and hundreds of million cases worldwide there is
still an unmet need to find proper treatments for the novel coronavirus, due also to the rapid …
still an unmet need to find proper treatments for the novel coronavirus, due also to the rapid …
Design of Cyclic Peptides Targeting Protein–Protein Interactions Using AlphaFold
More than 930,000 protein–protein interactions (PPIs) have been identified in recent years,
but their physicochemical properties differ from conventional drug targets, complicating the …
but their physicochemical properties differ from conventional drug targets, complicating the …
Mixed stereochemistry macrocycle acts as a helix-stabilizing peptide N-cap
Interactions between proteins and α-helical peptides have been the focus of drug discovery
campaigns. However, the large interfaces formed between multiple turns of an α-helix and a …
campaigns. However, the large interfaces formed between multiple turns of an α-helix and a …
Discovery of ligands for TRIM58, a novel tissue-selective E3 ligase
K Hoegenauer, S An, J Axford… - ACS Medicinal …, 2023 - ACS Publications
Redirecting E3 ligases to neo-substrates, leading to their proteasomal disassembly, known
as targeted protein degradation (TPD), has emerged as a promising alternative to traditional …
as targeted protein degradation (TPD), has emerged as a promising alternative to traditional …
SiteRadar: utilizing graph machine learning for precise mapping of protein–ligand-binding sites
SA Evteev, AV Ereshchenko… - Journal of chemical …, 2023 - ACS Publications
Identifying ligand-binding sites on the protein surface is a crucial step in the structure-based
drug design. Although multiple techniques have been proposed, including those using …
drug design. Although multiple techniques have been proposed, including those using …
Identification of small-molecule protein–protein interaction inhibitors for NKG2D
AA Thompson, MB Harbut, PP Kung… - Proceedings of the …, 2023 - National Acad Sciences
NKG2D (natural-killer group 2, member D) is a homodimeric transmembrane receptor that
plays an important role in NK, γδ+, and CD8+ T cell-mediated immune responses to …
plays an important role in NK, γδ+, and CD8+ T cell-mediated immune responses to …
Targeting Protein–Protein Interfaces with Peptides: The Contribution of Chemical Combinatorial Peptide Library Approaches
Protein–protein interfaces play fundamental roles in the molecular mechanisms underlying
pathophysiological pathways and are important targets for the design of compounds of …
pathophysiological pathways and are important targets for the design of compounds of …
Quantitative estimate index for early-stage screening of compounds targeting protein-protein interactions
Drug-likeness quantification is useful for screening drug candidates. Quantitative estimates
of drug-likeness (QED) are commonly used to assess quantitative drug efficacy but are not …
of drug-likeness (QED) are commonly used to assess quantitative drug efficacy but are not …