Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors

Cited by (189)

Items 101–189 of 189

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3. Aromatic side-chain flips orchestrate the conformational sampling of functional loops in human histone deacetylase 8
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4. Identification of novel HDAC8 selective inhibitors through ligand and structure based studies: Exploiting the acetate release channel differences among class I isoforms
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5. INTEGRATING STRUCTURE AND LIGAND-BASED APPROACHES FOR MODELLING THE HISTONE DEACETYLASE INHIBITION ACTIVITY OF HYDROXAMIC ACID DERIVATIVES
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6. Binding mechanism and distant regulation of histone deacetylase 8 by PCI-34051
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7. Epigenetic Molecular Recognition: A Biomolecular Modeling Perspective
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8. A combined pharmacophore modeling, 3D QSAR, virtual screening, molecular docking, and ADME studies to identify potential HDAC8 inhibitors
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9. Kinetically selective and potent inhibitors of HDAC8
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10. Continuous enzyme activity assay for high-throughput classification of histone deacetylase 8 inhibitors
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11. MOLECULAR MODELING OF THE INTERACTIONS BETWEEN HISTONE DEACETYLASE 8 AND INHIBITORS
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12. Structure-based design of selective histone deacetylase 6 zinc binding groups
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13. The Chemical Tuning of a Weak Zinc Binding Motif for Histone Deacetylase Using Electronic Effects
    Patrick R. McCarren, Michelle Lynn Hall, Lewis Whitehead · 2012 · Chemical Biology & Drug Design
14. Amide-based derivatives of β-alanine hydroxamic acid as histone deacetylase inhibitors: Attenuation of potency through resonance effects
    Vivian W. Y. Liao, Tao Liu, Rachel Codd · 2012 · Bioorganic & Medicinal Chemistry Letters
15. A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase
    A. Kraemer, Franz‐Josef Meyer‐Almes · 2018 · Worldwide Protein Data Bank
16. Recent progress in synthetic strategies to develop potent, HDAC8-selective, small-molecule inhibitors
    Brandon D. Lowe, Steven Fletcher · 2025 · Bioorganic & Medicinal Chemistry Letters
17. Discovery of organosulfur-based selective HDAC8 inhibitors with anti-neuroblastoma activity
    Hyewon Cho, Eun‐Young Lee, Jisoo Kim, Soojeong Shin, Yun Joong Kim, Heejin Lee, Ji Hoon Yu, Yong Hyun Jeon, Sang Wu Lee, So Young Lee et al. · 2024 · European Journal of Pharmaceutical Sciences
18. Investigation of HDAC8-ligands’ intermolecular forces through molecular dynamics simulations: profiling of non-bonding energies to design potential compounds as new anti-cancer agents
    Varun Dewaker, Ajay Kumar Srivastava, Ashish Arora, Yenamandra S. Prabhakar · 2020 · Journal of Biomolecular Structure and Dynamics
19. Development of new pyrazoles as class I HDAC inhibitors: Synthesis, molecular modeling, and biological characterization in leukemia cells
    Francesco Berluti, Fady Baselious, Sven Hagemann, Sebastian Hilscher, Matthias Schmidt, Stefan Hüttelmaier, Mike Schutkowski, Wolfgang Sippl, Hany S. Ibrahim · 2024 · Archiv der Pharmazie
20. Neuroprotective Effects of 4-phenylbutyric Acid and Its Derivatives: Possible Therapeutics for Neurodegenerative Diseases
    Seisuke Mimori, Toru Hosoi, Masayuki Kaneko, Koichiro Ozawa, Tetsuto Kanzaki, Akinori Nishi, Yasuyuki Nomura · 2017 · J of Health Science
21. Identification of Novel Human HDAC8 Inhibitors by Pharmacophore‐based Virtual Screening and Density Functional Theory Approaches
    Seokmin Kim, Yuno Lee, Songmi Kim, Sang Jik Lee, Phil Kyeong Heo, Siu Kim, Yong Jung Kwon, Keun Woo Lee · 2018 · Bulletin of the Korean Chemical Society
22. Targeting the Zinc-Dependent Histone Deacetylases (HDACs) for Drug Discovery
    Arasu Ganesan · 2019 · Topics in medicinal chemistry
23. Discovery of potent HDAC2 inhibitors based on virtual screening in combination with drug repurposing
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24. Substrate-Guided Development of HDAC11-Selective Inhibitors Featuring α-Amino Amide Zinc-Binding Groups
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25. Replacement of the hydroxamic acid group in the selective HDAC8 inhibitor PCI-34051
    Keith E. Long, David A. Close, Paul A. Johnston, Donna M. Huryn · 2024 · Bioorganic & Medicinal Chemistry Letters
26. In silico identification of dual HDAC8 and MMP9 inhibitors by pharmacophore modeling, molecular docking, and molecular dynamics simulation studies for development of antitumour agent
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27. Targeting cancers and metabolic disorders: The prospects of combining HDAC8 inhibitor and activator
    Mohammed Mukhtar Yusif · 2022 · European Journal of Medicinal Chemistry Reports
28. Rapid Determination of Kinetic Constants for Slow-Binding Inhibitors and Inactivators of Human Histone Deacetylase 8
    Aleksandra Kopranovic, Franz‐Josef Meyer‐Almes · 2024 · International Journal of Molecular Sciences
29. Design, synthesis, and biological evaluation of substituted benzyl-triazolopyridine derivatives as non-hydroxamate based HDAC8 inhibitors
    N.V.M. Rao Bandaru, Ashna Fathima, Vandana Joshi, Markus Schweipert, Obanna Pathur, Kosana Sai Chaitanya, Jamma Trinath, Vivek Sharma, Chandrasekhar Abbineni, Franz‐Josef Meyer‐Almes et al. · 2025 · European Journal of Medicinal Chemistry Reports
30. In silico, Synthesis and Biological Investigations of Pyrrolo[3,4-C]Pyrrole Hydroxamic Acid Derivatives as Potential Anticancer Agents
    Luis Córdova-Bahena, Carlos Cervantes, Karla J. Soto-Arredondo, Minerva Martínez‐Alfaro, Natanael Zarco, Marco Antonio Garcia-Revilla, Yolanda Alcaraz‐Contreras, Lourdes Palma Tirado, Miguel Angel Vazquez, Juvencio Robles · 2018 · Journal of the Mexican Chemical Society
31. Docking Approaches Used in Epigenetic Drug Investigations
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32. Inhibitors of the Zinc‐Dependent Histone Deacetylases
    Helle M. E. Kristensen, Andreas S. Madsen, Christian Adam Olsen · 2019 · Methods and principles in medicinal chemistry
33. Resolving the Deceptive Isoform and Complex Selectivity of HDAC1/2 Inhibitors
    Ralph Mazitschek, N. Connor Payne · 2021 · SSRN Electronic Journal
34. Tuning Scaffold Properties of New 1,4-Substituted Pyrrolo[3,2-c]quinoline Derivatives Endowed with Anticancer Potential, New Biological and In Silico Insights
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35. Fair and Square: Design, Synthesis and Biological Evaluations of Squaric Acid Derivatives as Novel HDAC8 Inhibitors
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36. Turning to Computer-aided Drug Design in the Treatment of Diffuse Large B-cell Lymphoma: Has it been Helpful?
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37. Preparation of a new construct of human histone deacetylase 8 for the crystallization of enzyme-inhibitor complexes
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38. Investigation of the histone deacetylase inhibitor potential of phorbazole analogues
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39. Targeted HDAC8 inhibition with non-hydroxamate [1,2,4]triazolo[4,3-a] quinoline compounds
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40. Lactylation: Metabolic epigenetic regulation and cell death mechanisms in myocardial ischemia‒reperfusion injury
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41. Identification of non-hydroxamate histone deacetylase 8 inhibitors using deep learning-based screening of two-dimensional molecular images
    Yasunobu Yamashita, Juhyun Yun, Ayumu Asai, Hiroki Kato, Yuuki Taki, Moeha Izuhara, Takuya Yamanaka, Motonori Tsuji, Junya Nakamura, Yuri Takada et al. · 2026 · Bioorganic & Medicinal Chemistry
42. Development of Indole-3-yl-methylene-thiobarbital Derivatives as Inhibitors of HDAC8 Enzyme Activity
    Abdelrahman A. F. Elsayed, Jianqiu Zhang, Alvan Febrian Shalas, Petra E. van der Wouden, Donald J. M. van Pinxteren, Willem Jespers, Frank J. Dekker · 2026 · Journal of Medicinal Chemistry
43. Exploration of novel hydroxamic acid-based candidates integrating chalcone scaffold cap as multitarget HDAC inhibitors: design, anti-prostatic cancer assessment, in silico docking and molecular dynamic simulation
    Aya I. Abd El-hameed, Ibrahim M. Salem, Rasha Mosa Allam, Mariem M. Arafat, Hossameldin A. Aziz, Zuhier Ahmed Awan, Tarek Salah Ibrahim, Omar Alshazly, Eman A. M. Beshr, Stefan Bräse et al. · 2026 · Journal of Enzyme Inhibition and Medicinal Chemistry
44. Seed, Foster, Believe, Dream and Act. Capacity Building in Kenya by Novartis Global Discovery Chemistry, Seeding Labs, the International Activities Committee, and the Computers in Chemistry Division of the ACS between 2010−2014
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45. Zinc in Biology
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46. 4,5,6,7-Tetrahydrobenzo[b]thiophene-Based Derivatives as Anticancer Agents: An overview
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47. Epigenetic Proteins as Emerging Drug Targets
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48. Transition Metal Promoted Synthesis of Isoindoline Derivatives
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49. Elucidation of the Histone Deacetylase 6 Pharmacophore
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50. The Specificity and Regulation of Human Histone Deacetylase 8.
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51. Target Identification of HDAC8 Isoform for the Treatment of Cancer
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52. Engineering and Delivery of Synthetic Chromatin Effectors
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53. Nghiên cứu tương tác của vorinostat với enzyme HDAC8 (1T67) bằng Autodock
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54. Kinetic Characterization of Human Histone Deacetylase 8 With Medium-Chain Fatty Acyl Lysine
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55. Targeted Protein Degradation of Metalloenzymes
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56. Biochemical, biophysical and structural study of proteins associated to human diseases : tcDAC2 and ADAT complex
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57. Spiro[indoline-tetrazolo[1,5-c]quinazoline] derivatives as candidate HDAC8 inhibitors: a molecular docking and ADMET analysis using the HDAC8–inhibitor complex (PDB 2V5X)
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58. Exploration of non-hydroxamate based quinoline analogues as HDAC8 inhibitors
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59. Discovery of cyanocarbonimidodithioates as novel non-hydroxamate zinc-binding groups for selective HDAC8 inhibition: Design, synthesis, biological evaluation, anticancer activity, and in silico studies
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60. BindingDB Entry 50022755: HDAC8 as a target in drug discovery: Function, structure and design.
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61. BindingDB Entry 50042145: Amide-based derivatives ofß-alanine hydroxamic acid as histone deacetylase inhibitors: attenuation of potency through resonance effects.
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62. BindingDB Entry 50017422: Zinc enzymes in medicinal chemistry.
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63. BindingDB Entry 50001930: Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
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64. BindingDB Entry 50049324: Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy.
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65. BindingDB Entry 50019764: Electrophilic MiniFrags Revealed Unprecedented Binding Sites for Covalent HDAC8 Inhibitors.
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66. BindingDB Entry 50006278: Design, synthesis and preliminary bioactivity evaluations of substituted quinoline hydroxamic acid derivatives as novel histone deacetylase (HDAC) inhibitors.
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67. BindingDB Entry 50021859: Replacement of the hydroxamic acid group in the selective HDAC8 inhibitor PCI-34051.
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68. BindingDB Entry 50009464: Synthesis and structure activity relationship of 1, 3-benzo-thiazine-2-thiones as selective HDAC8 inhibitors.
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69. BindingDB Entry 7728: Histone deacetylase (HDAC) inhibitor kinetic rate constants correlate with cellular histone acetylation but not transcription and cell viability.
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70. BindingDB Entry 50033673: The design, synthesis and structure-activity relationships of novel isoindoline-based histone deacetylase inhibitors.
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71. BindingDB Entry 50013364: Thirty Years of HDAC Inhibitors: 2020 Insight and Hindsight.
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72. BindingDB Entry 50044838: Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles.
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73. BindingDB Entry 50047104: Design and Synthesis of Simplified Largazole Analogues as Isoform-Selective Human Lysine Deacetylase Inhibitors.
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74. BindingDB Entry 50005962: Mutagenesis studies of the 14 Å internal cavity of histone deacetylase 1: insights toward the acetate-escape hypothesis and selective inhibitor design.
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75. BindingDB Entry 50040788: Structure-activity relationships and blood distribution of antiplasmodial aminopeptidase-1 inhibitors.
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76. BindingDB Entry 50040763: Rapid discovery of highly potent and selective inhibitors of histone deacetylase 8 using click chemistry to generate candidate libraries.
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77. BindingDB Entry 50021367: Discovery of a Highly Potent and Selective HDAC8 Degrader: Advancing the Functional Understanding and Therapeutic Potential of HDAC8.
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78. BindingDB Entry 50016209: Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
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79. BindingDB Entry 50005915: Synthesis and structure-activity relationship of 3-hydroxypyridine-2-thione-based histone deacetylase inhibitors.
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80. BindingDB Entry 50010688: Potent non-hydroxamate inhibitors of histone deacetylase-8: Role and scope of an isoindolin-2-yl linker with an α-amino amide as the zinc-binding unit.
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81. BindingDB Entry 50049021: Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors.
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82. BindingDB Entry 50010426: Histone deacetylase 8 (HDAC8) and its inhibitors with selectivity to other isoforms: An overview.
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83. BindingDB Entry 50000606: Class I HDAC Inhibitors: Potential New Epigenetic Therapeutics for Alcohol Use Disorder (AUD).
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84. BindingDB Entry 50011724: Largazole Analogues Embodying Radical Changes in the Depsipeptide Ring: Development of a More Selective and Highly Potent Analogue.
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85. BindingDB Entry 50010145: Synthesis of N'-propylhydrazide analogs of hydroxamic inhibitors of histone deacetylases (HDACs) and evaluation of their impact on activities of HDACs and replication of hepatitis C virus (HCV).
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86. BindingDB Entry 50001048: Design, synthesis and tumor cell growth inhibitory activity of 3-nitro-2H-cheromene derivatives as histone deacetylaes inhibitors.
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87. BindingDB Entry 50000333: Structure-Based Design and Biological Characterization of Selective Histone Deacetylase 8 (HDAC8) Inhibitors with Anti-Neuroblastoma Activity.
    BindingDB · 2019 · UC San Diego
88. BindingDB Entry 50022324: Are inhibitors of histone deacetylase 8 (HDAC8) effective in hematological cancers especially acute myeloid leukemia (AML) and acute lymphoblastic leukemia (ALL)?
    BindingDB · 2025 · UC San Diego
89. Discovery of Novel HDAC8 Inhibitors Through Shape-Based Virtual Screening: Experimental Validation and Characterization of a Promising Quinoline-Based Hit Scaffold
    Adriana Gargano, Aday González‐Bakker, Adrián Puerta, Valentina Maggisano, Stefania Bulotta, Roberta Rocca, José M. Padrón, Stefano Alcaro · 2026 · International Journal of Molecular Sciences