Cargando…

Dynamic Structure-Based Pharmacophore Model Development: A New and Effective Addition in the Histone Deacetylase 8 (HDAC8) Inhibitor Discovery

Histone deacetylase 8 (HDAC8) is an enzyme involved in deacetylating the amino groups of terminal lysine residues, thereby repressing the transcription of various genes including tumor suppressor gene. The over expression of HDAC8 was observed in many cancers and thus inhibition of this enzyme has e...

Descripción completa

Detalles Bibliográficos
Autores principales:	Thangapandian, Sundarapandian, John, Shalini, Lee, Yuno, Kim, Songmi, Lee, Keun Woo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Molecular Diversity Preservation International (MDPI) 2011
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3257139/ https://www.ncbi.nlm.nih.gov/pubmed/22272142 http://dx.doi.org/10.3390/ijms12129440

Ejemplares similares

Molecular Modeling Study on Tunnel Behavior in Different Histone Deacetylase Isoforms
por: Thangapandian, Sundarapandian, et al.
Publicado: (2012)

Molecular Dynamics Simulation Study and Hybrid Pharmacophore Model Development in Human LTA4H Inhibitor Design
por: Thangapandian, Sundarapandian, et al.
Publicado: (2012)

Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors
por: John, Shalini, et al.
Publicado: (2011)

Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies
por: John, Shalini, et al.
Publicado: (2011)

3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors
por: Arooj, Mahreen, et al.
Publicado: (2011)

Molecular Dynamics Simulations of Sonic Hedgehog-Receptor and Inhibitor Complexes and Their Applications for Potential Anticancer Agent Discovery
por: Hwang, Swan, et al.
Publicado: (2013)

Search for the Pharmacophore of Histone Deacetylase Inhibitors Using Pharmacophore Query and Docking Study
por: Haji Agha Bozorgi, Atefeh, et al.
Publicado: (2014)

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

Methionine 274 Is Not the Determining Factor for Selective Inhibition of Histone Deacetylase 8 (HDAC8) by L-Shaped Inhibitors
por: Jänsch, Niklas, et al.
Publicado: (2022)

Comparative Molecular Modeling Study of Arabidopsis NADPH-Dependent Thioredoxin Reductase and Its Hybrid Protein
por: Lee, Yuno, et al.
Publicado: (2012)

Binding Mode Analyses and Pharmacophore Model Development for Stilbene Derivatives as a Novel and Competitive Class of α-Glucosidase Inhibitors
por: Lee, Yuno, et al.
Publicado: (2014)

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

Structural Origins for the Loss of Catalytic Activities of Bifunctional Human LTA4H Revealed through Molecular Dynamics Simulations
por: Thangapandian, Sundarapandian, et al.
Publicado: (2012)

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

Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction
por: Beshore, Douglas C., et al.
Publicado: (2021)

A Combination of Receptor-Based Pharmacophore Modeling & QM Techniques for Identification of Human Chymase Inhibitors
por: Arooj, Mahreen, et al.
Publicado: (2013)

Histone deacetylase inhibitors suppress mutant p53 transcription via histone deacetylase 8
por: Yan, Wensheng, et al.
Publicado: (2012)

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)

The Role of Dietary Histone Deacetylases (HDACs) Inhibitors in Health and Disease
por: Bassett, Shalome A., et al.
Publicado: (2014)

Elevated expression of histone deacetylase HDAC8 suppresses arginine-proline metabolism in necrotizing enterocolitis
por: Guo, Ting, et al.
Publicado: (2023)

Histone Deacetylase Inhibitors, Intrinsic and Extrinsic Apoptotic Pathways, and Epigenetic Alterations of Histone Deacetylases (HDACs) in Hepatocellular Carcinoma
por: Sanaei, Masumeh, et al.
Publicado: (2021)

Structural Basis for the Inhibition of Histone Deacetylase 8 (HDAC8), a Key Epigenetic Player in the Blood Fluke Schistosoma mansoni
por: Marek, Martin, et al.
Publicado: (2013)

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)

Induction of histone deacetylases (HDACs) in human abdominal aortic aneurysm: therapeutic potential of HDAC inhibitors
por: Galán, María, et al.
Publicado: (2016)

Histone deacetylase (HDAC) inhibitors in recent clinical trials for cancer therapy
por: Wagner, Julia M., et al.
Publicado: (2010)

Developing selective histone deacetylases (HDACs) inhibitors through ebselen and analogs
por: Wang, Yuren, et al.
Publicado: (2017)

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)

Optimization of Resveratrol Used as a Scaffold to Design Histone Deacetylase (HDAC-1 and HDAC-2) Inhibitors
por: Urias, Beatriz Silva, et al.
Publicado: (2022)

Expression of Histone Deacetylases HDAC1, HDAC2, HDAC3, and HDAC6 in Invasive Ductal Carcinomas of the Breast
por: Seo, Jinwon, et al.
Publicado: (2014)

Kinetically selective inhibitors of histone deacetylase 2 (HDAC2) as cognition enhancers
por: Wagner, F. F., et al.
Publicado: (2015)

Histone Deacetylases and Histone Deacetylase Inhibitors in Neuroblastoma
por: Phimmachanh, Monica, et al.
Publicado: (2020)

Harnessing the HDAC–histone deacetylase enzymes, inhibitors and how these can be utilised in tissue engineering
por: Lawlor, Liam, et al.
Publicado: (2019)

Histone Deacetylase (HDAC) Inhibitors: A Promising Weapon to Tackle Therapy Resistance in Melanoma
por: Palamaris, Kostas, et al.
Publicado: (2022)

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)

Balancing Histone Deacetylase (HDAC) Inhibition and Drug‐likeness: Biological and Physicochemical Evaluation of Class I Selective HDAC Inhibitors
por: Schäker‐Hübner, Linda, et al.
Publicado: (2022)

Class I histone deacetylases (HDAC1–3) are histone lysine delactylases
por: Moreno-Yruela, Carlos, et al.
Publicado: (2022)

Analysis of the interactome of Schistosoma mansoni histone deacetylase 8
por: Caby, Stéphanie, et al.
Publicado: (2017)

Molecular Modeling Study for Inhibition Mechanism of Human Chymase and Its Application in Inhibitor Design
por: Arooj, Mahreen, et al.
Publicado: (2013)

Discovery of Lonafarnib-Like Compounds: Pharmacophore Modeling and Molecular Dynamics Studies
por: Rampogu, Shailima, et al.
Publicado: (2020)

Depletion of HDAC1, 7 and 8 by Histone Deacetylase Inhibition Confers Elimination of Pancreatic Cancer Stem Cells in Combination with Gemcitabine
por: Cai, Mao-Hua, et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_o72os10rivusp0q02qim7vmpfl