Cargando…

Application of Ligand- and Structure-Based Prediction Models for the Design of Alkylhydrazide-Based HDAC3 Inhibitors as Novel Anti-Cancer Compounds

Histone deacetylases (HDAC) represent promising epigenetic targets for several diseases including different cancer types. The HDAC inhibitors approved to date are pan-HDAC inhibitors and most show a poor selectivity profile, side effects, and in particular hydroxamic-acid-based inhibitors lack good...

Descripción completa

Detalles Bibliográficos
Autores principales:	Bülbül, Emre F., Robaa, Dina, Sun, Ping, Mahmoudi, Fereshteh, Melesina, Jelena, Zessin, Matthes, Schutkowski, Mike, Sippl, Wolfgang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10386743/ https://www.ncbi.nlm.nih.gov/pubmed/37513880 http://dx.doi.org/10.3390/ph16070968

Ejemplares similares

Docking, Binding Free Energy Calculations and In Vitro Characterization of Pyrazine Linked 2-Aminobenzamides as Novel Class I Histone Deacetylase (HDAC) Inhibitors
por: Bülbül, Emre F., et al.
Publicado: (2022)

Continuous Activity Assay for HDAC11 Enabling Reevaluation of HDAC Inhibitors
por: Kutil, Zsófia, et al.
Publicado: (2019)

Synthesis, Molecular Docking and Biological Characterization of Pyrazine Linked 2-Aminobenzamides as New Class I Selective Histone Deacetylase (HDAC) Inhibitors with Anti-Leukemic Activity
por: Ibrahim, Hany S., et al.
Publicado: (2021)

A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing
por: Simoben, Conrad V., et al.
Publicado: (2018)

Histone Deacetylase (HDAC) Inhibitors for the Treatment of Schistosomiasis
por: Ghazy, Ehab, et al.
Publicado: (2022)

Carbamates as Potential Prodrugs and a New Warhead for HDAC Inhibition
por: King, Kristina, et al.
Publicado: (2018)

Structure‐Based Design, Synthesis, and Biological Evaluation of Triazole‐Based smHDAC8 Inhibitors
por: Kalinin, Dmitrii V., et al.
Publicado: (2020)

Continuous Fluorescent Sirtuin Activity Assay Based on Fatty Acylated Lysines
por: Zessin, Matthes, et al.
Publicado: (2023)

Binding Free Energy (BFE) Calculations and Quantitative Structure–Activity Relationship (QSAR) Analysis of Schistosoma mansoni Histone Deacetylase 8 (smHDAC8) Inhibitors
por: Simoben, Conrad V., et al.
Publicado: (2021)

Exploring aromatic cage flexibility of the histone methyllysine reader protein Spindlin1 and its impact on binding mode prediction: an in silico study
por: Luise, Chiara, et al.
Publicado: (2021)

Activity of bromodomain protein inhibitors/binders against asexual-stage Plasmodium falciparum parasites
por: Chua, Ming Jang, et al.
Publicado: (2018)

2-Benzazolyl-4-Piperazin-1-Ylsulfonylbenzenecarbohydroxamic Acids as Novel Selective Histone Deacetylase-6 Inhibitors with Antiproliferative Activity
por: Wang, Lei, et al.
Publicado: (2015)

Pharmacogenetic Aspects of the Interaction of AT1 Receptor Antagonists With ATP-Binding Cassette Transporter ABCG2
por: Ripperger, Anne, et al.
Publicado: (2018)

Design, Synthesis and Biological Characterization of Histone Deacetylase 8 (HDAC8) Proteolysis Targeting Chimeras (PROTACs) with Anti-Neuroblastoma Activity
por: Darwish, Salma, et al.
Publicado: (2022)

Ligand-based and structure-based design of novel histone demethylase inhibitors
por: Carlino, Luca, et al.
Publicado: (2013)

HaloTag‐Targeted Sirtuin‐Rearranging Ligand (SirReal) for the Development of Proteolysis‐Targeting Chimeras (PROTACs) against the Lysine Deacetylase Sirtuin 2 (Sirt2)
por: Schiedel, Matthias, et al.
Publicado: (2020)

First Fluorescent Acetylspermidine Deacetylation Assay for HDAC10 Identifies Selective Inhibitors with Cellular Target Engagement
por: Herp, Daniel, et al.
Publicado: (2022)

Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6)
por: Motlová, Lucia, et al.
Publicado: (2023)

Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation
por: Sinatra, Laura, et al.
Publicado: (2023)

A new approach for flexible protein-ligand docking based on Particle Swarm Optimisation
por: Meier, Rene, et al.
Publicado: (2008)

The potential for histone deacetylase (HDAC) inhibitors as cestocidal drugs
por: Vaca, Hugo Rolando, et al.
Publicado: (2021)

Structure-Based Design, Docking and Binding Free Energy Calculations of A366 Derivatives as Spindlin1 Inhibitors
por: Luise, Chiara, et al.
Publicado: (2021)

Ligand Based Pharmacophore Modeling and Virtual Screening Studies to Design Novel HDAC2 Inhibitors
por: Kandakatla, Naresh, et al.
Publicado: (2014)

Selective Sirt2 inhibition by ligand-induced rearrangement of the active site
por: Rumpf, Tobias, et al.
Publicado: (2015)

Development of target-biased scoring functions for protein-ligand docking
por: Scharfe, Michael, et al.
Publicado: (2012)

Identification of novel leads as potent inhibitors of HDAC3 using ligand-based pharmacophore modeling and MD simulation
por: Kumbhar, Navanath, et al.
Publicado: (2022)

Discovery of novel potential selective HDAC8 inhibitors by combine ligand-based, structure-based virtual screening and in-vitro biological evaluation
por: Debnath, Sudhan, et al.
Publicado: (2019)

Switching the Switch: Ligand Induced Disulfide Formation in HDAC8
por: Jänsch, Niklas, et al.
Publicado: (2020)

Muscle Carnitine Palmitoyltransferase II Deficiency: A Review of Enzymatic Controversy and Clinical Features
por: Lehmann, Diana, et al.
Publicado: (2017)

HDAC and HDAC Inhibitor: From Cancer to Cardiovascular Diseases
por: Yoon, Somy, et al.
Publicado: (2016)

Hydroxyl Ketone-Based Histone Deacetylase Inhibitors To Gain Insight into Class I HDAC Selectivity versus That of HDAC6
por: Traoré, Mohamed D. M., et al.
Publicado: (2017)

Involvement of HDAC1 and HDAC3 in the Pathology of Polyglutamine Disorders: Therapeutic Implications for Selective HDAC1/HDAC3 Inhibitors
por: Thomas, Elizabeth A.
Publicado: (2014)

Rasnitsynala sigambrorum gen. et sp. n., a small odonatopterid (“Eomeganisoptera”, “Erasipteridae”) from the early Late Carboniferous of Hagen-Vorhalle (Germany)
por: Zessin, Wolfgang, et al.
Publicado: (2011)

The HDAC6/8/10 inhibitor TH34 induces DNA damage-mediated cell death in human high-grade neuroblastoma cell lines
por: Kolbinger, Fiona R., et al.
Publicado: (2018)

Metabolism, HDACs, and HDAC Inhibitors: A Systems Biology Perspective
por: King, Jacob, et al.
Publicado: (2021)

PCNA appears in two populations of slow and fast diffusion with a constant ratio throughout S-phase in replicating mammalian cells
por: Zessin, Patrick J. M., et al.
Publicado: (2016)

Development of Thiazolidinedione-Based HDAC6 Inhibitors to Overcome Methamphetamine Addiction
por: Sharma, Chiranjeev, et al.
Publicado: (2019)

Structure-Based Inhibitor Discovery of Class I Histone Deacetylases (HDACs)
por: Luo, Yuxiang, et al.
Publicado: (2020)

Quinazoline Based HDAC Dual Inhibitors as Potential Anti-Cancer Agents
por: Dhuguru, Jyothi, et al.
Publicado: (2022)

A kinome-wide RNAi screen identifies ALK as a target to sensitize neuroblastoma cells for HDAC8-inhibitor treatment
por: Shen, Jing, et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_bc8tgdq7313spmtk9q8mhqplaa