Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity

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Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor

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Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models

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Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6

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Discovery of the First-in-Class Dual Histone Deacetylase–Proteasome Inhibitor

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Histone deacetylases as targets for the treatment of neurodegenerative disorders: Challenges and future opportunities

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Melatonin- and Ferulic Acid-Based HDAC6 Selective Inhibitors Exhibit Pronounced Immunomodulatory Effects In Vitro and Neuroprotective Effects in a Pharmacological Alzheimer’s Disease Mouse Model

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Rational Design of Suprastat: A Novel Selective Histone Deacetylase 6 Inhibitor with the Ability to Potentiate Immunotherapy in Melanoma Models

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Novel Benzohydroxamate-Based Potent and Selective Histone Deacetylase 6 (HDAC6) Inhibitors Bearing a Pentaheterocyclic Scaffold: Design, Synthesis, and Biological Evaluation

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Synthesis of Peptoid-Based Class I-Selective Histone Deacetylase Inhibitors with Chemosensitizing Properties

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Discovery of selective HDAC/BRD4 dual inhibitors as epigenetic probes

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Structural determinants of affinity and selectivity in the binding of inhibitors to histone deacetylase 6

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Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6

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Multicomponent Synthesis, Binding Mode, and Structure–Activity Relationship of Selective Histone Deacetylase 6 (HDAC6) Inhibitors with Bifurcated Capping Groups

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Novel 2, 5-diketopiperazine derivatives as potent selective histone deacetylase 6 inhibitors: Rational design, synthesis and antiproliferative activity

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Mercaptoacetamide: A promising zinc-binding group for the discovery of selective histone deacetylase 6 inhibitors

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Spiroindoline-Capped Selective HDAC6 Inhibitors: Design, Synthesis, Structural Analysis, and Biological Evaluation

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Fluorinated Analogues of the Histone Deacetylase Inhibitor Vorinostat (Zolinza): Validation of a Chiral Hybrid Bioisostere, BITE

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Design, Synthesis, and Pharmacological Evaluation of First‐in‐Class Multitarget N‐Acylhydrazone Derivatives as Selective HDAC6/8 and PI3Kα Inhibitors

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Structure–Activity and Structure–Toxicity Relationships of Peptoid‐Based Histone Deacetylase Inhibitors with Dual‐Stage Antiplasmodial Activity

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Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot–Marie–Tooth Type 2A Mouse Model

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Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia

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Photocaged Histone Deacetylase Inhibitors as Prodrugs in Targeted Cancer Therapy

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First Fluorescent Acetylspermidine Deacetylation Assay for HDAC10 Identifies Selective Inhibitors with Cellular Target Engagement**

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Identification of PI3K/HDAC Dual-targeted inhibitors with subtype selectivity as potential therapeutic agents against solid Tumors: Building HDAC6 potency in a Quinazolinone-based PI3Kδ-selective template

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Kinetics, Thermodynamics, and Structural Effects of Quinoline-2-Carboxylates, Zinc-Binding Inhibitors of New Delhi Metallo-β-lactamase-1 Re-sensitizing Multidrug-Resistant Bacteria for Carbapenems

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Structure-activity relationship and mechanistic studies for a series of cinnamyl hydroxamate histone deacetylase inhibitors

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Design, Synthesis, and biological evaluation of HDAC6 inhibitors based on Cap modification strategy

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Contilisant+Tubastatin A Hybrids: Polyfunctionalized Indole Derivatives as New HDAC Inhibitor-Based Multitarget Small Molecules with In Vitro and In Vivo Activity in Neurodegenerative Diseases

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HDAC/JAK dual target inhibitors of cancer-related targets: The success of nonclearable linked pharmacophore mode

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Identification of histone deacetylase inhibitors with (arylidene)aminoxy scaffold active in uveal melanoma cell lines

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Histone deacetylase 6 inhibitors with blood-brain barrier penetration as a potential strategy for CNS-Disorders therapy

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Fluorescent analogs of peptoid-based HDAC inhibitors: Synthesis, biological activity and cellular uptake kinetics

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Groebke Blackburn Bienaymé-mediated multi-component synthesis of selective HDAC6 inhibitors with anti-inflammatory properties

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Exploring Alternative Zinc-Binding Groups in Histone Deacetylase (HDAC) Inhibitors Uncovers DS-103 as a Potent Ethylhydrazide-Based HDAC Inhibitor with Chemosensitizing Properties

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Exploring structural requirements of isoform selective histone deacetylase inhibitors: a comparative in silico study

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Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6

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Targeting histone deacetylase 1: Inhibition and activation as promising therapeutic strategies for diverse disorders

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Preferential HDAC6 inhibitors derived from HPOB exhibit synergistic antileukemia activity in combination with decitabine

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Discovery of Histone Deacetylase Inhibitor Using Molecular Modeling and Free Energy Calculations

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Recent advances in anticancer peptoids

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Crystal structure of histone deacetylase 6 complexed with (R)-lipoic acid, an essential cofactor in central carbon metabolism

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Discovery of selective HDAC6 inhibitors based on a multi-layer virtual screening strategy

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Development of a tetrahydroindazolone-based HDAC6 inhibitor with in-vivo anti-arthritic activity

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Structure-based design of selective histone deacetylase 6 zinc binding groups

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Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6

Osko, J. D., & Christianson, D. W. (2020) · Acta Crystallographica Section F Structural Biology Communications · doi:10.1107/s2053230x20010250 · Cited by 9

Inhibitors of histone deacetylase 6 based on a novel 3-hydroxy-isoxazole zinc binding group

Linciano, P., Pinzi, L., Belluti, S., Chianese, U., Benedetti, R., Moi, D., Altucci, L., Franchini, S., Imbriano, C., Sorbi, C., et al. (2021) · Journal of Enzyme Inhibition and Medicinal Chemistry · doi:10.1080/14756366.2021.1981306 · Cited by 8

Synthesis and biological evaluation of novel N-benzyltriazolyl-hydroxamate derivatives as selective histone deacetylase 6 inhibitors

Kong, S. J., Nam, G., Boggu, P. R., Park, G. M., Kang, J.-E., Park, H., & Jung, Y. H. (2023) · Bioorganic & Medicinal Chemistry · doi:10.1016/j.bmc.2023.117154 · Cited by 8

SAR study culminates in a series of HDAC6 selective inhibitors featuring Schisandrin C-analogous Cap as potential immunomodulatory agents for cancer therapy

Tao, Q., Wei, W., Lv, X., Guo, J. X., Tao, Y., Zhang, M., He, G., Li, Z., Gui, S., & Ma, X. (2022) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2022.105992 · Cited by 8

Pharmacological manipulation of liver fibrosis progression using novel HDAC 6 inhibitors

Borrello, M. T., Ružić, D., Paish, H. L., Graham, E., Collins, A., Scott, R., Higginbotham, S., Radović, B., Nelson, G., Bulmer, D. M., et al. (2025) · FEBS Journal · doi:10.1111/febs.70062 · Cited by 7

Challenging triple negative breast cancer through HDAC6 selective inhibition: Novel cap-group identification, structure-activity relationships, computational and biological studies

Barone, S., Bello, I., Guadagni, A., Cerchia, C., Filocamo, G., Cassese, E., Alfano, A. I., Esposito, C., Morel, Á. J. F., Brunetti, M., et al. (2025) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2025.117634 · Cited by 8

The Effect of Vicinal Difluorination on the Conformation and Potency of Histone Deacetylase Inhibitors

Ariawan, D., Mansour, F., Richardson, N., Bhadbhade, M. M., Ho, J., & Hunter, L. (2021) · Molecules · doi:10.3390/molecules26133974 · Cited by 7

Improved Pharmacokinetic Profiles of HDAC6 Inhibitors via Cap Group Modifications

Olaoye, O. O., Erdogan, F., Gracia-Hernandez, M., Garcha, H. K., Sedighi, A., Ashraf, Q. F., Nawar, N., Geletu, M., Seo, H., Abdallah, D. I., et al. (2025) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.5c00479 · Cited by 8

Discovery of novel selective HDAC6 inhibitors via a scaffold hopping approach for the treatment of idiopathic pulmonary fibrosis (IPF) in vitro and in vivo

Quan, J., Ma, C., Zhao, X., Guo, Y., Qu, W., Zhou, X., Ma, E., & Xu, Y. (2025) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2025.108360 · Cited by 6

Discovery of selective HDAC6 inhibitors capped by flavonoid or flavonoid-analogous moieties as anti-cancer therapeutics simultaneously harboring anti-proliferative and immunomodulatory activities

He, G., Li, Z., Zhang, M., Li, Z., Wang, Y., Zhao, F., Wang, Y., & Ma, X. (2022) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2022.106146 · Cited by 5

Design, synthesis, and biological evaluation of novel histone deacetylase 6 selective inhibitors

Zhang, T., Zhao, X., Sun, X., Tian, W., Wang, C., Wang, M., Zhang, Y., Chen, X., & Zheng, C. (2022) · Journal of Saudi Chemical Society · doi:10.1016/j.jscs.2022.101450 · Cited by 6

Mechanism-Based Inhibition of Histone Deacetylase 6 by a Selenocyanate Is Subject to Redox Modulation

Stollmaier, J. G., Czarnecki, B. A. R., & Christianson, D. W. (2025) · Journal of the American Chemical Society · doi:10.1021/jacs.5c00157 · Cited by 4

Discovery of novel aminopyrimidine-hydroxamate derivatives as dual FLT3/HDAC inhibitors: Design, synthesis, and anti-hematologic malignancy evaluation

Ran, F., Cao, R. Y., Ma, Y., Ji, D., Sun, T., Chang, M., Chen, C., Yin, C., Huang, H., & Ling, Y. (2026) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2026.118574 · Cited by 4

Exploring hydroxamic acid inhibitors of HDAC1 and HDAC2 using small molecule tools and molecular or homology modelling

Daniel, L., Gotsbacher, M. P., Richardson‐Sanchez, T., Tieu, W., & Codd, R. (2019) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/j.bmcl.2019.08.002 · Cited by 4

Mechanistic Exploration of Methionine 274 Acting as a “Switch” of the Selective Pocket Involved in HDAC8 Inhibition: An in Silico Study

Peng, Y., Gao, Q., Wang, Y., Yao, Q., & Zhang, J. (2021) · ChemMedChem · doi:10.1002/cmdc.202001004 · Cited by 4

Bridging protein quality control and epigenetic dysregulation: The HDAC6 paradox in neurological disorders and therapeutic targeting

Chen, Y., Wu, Y., Liu, X., Wan, J., Shen, M., & Zhang, Q. (2026) · European Journal of Pharmacology · doi:10.1016/j.ejphar.2026.178721 · Cited by 3

Searching for Novel HDAC6/Hsp90 Dual Inhibitors with Anti-Prostate Cancer Activity: In Silico Screening and In Vitro Evaluation

Pinzi, L., Belluti, S., Piccinini, I., Imbriano, C., & Rastelli, G. (2024) · Pharmaceuticals · doi:10.3390/ph17081072 · Cited by 3

Ronald C.D. Breslow (1931–2017): A career in review

Joseph, V., & Levine, M. S. (2021) · Bioorganic Chemistry · doi:10.1016/j.bioorg.2021.104868 · Cited by 3

First Fluorescent Acetylspermidine Deacetylation Assay for HDAC10 Identifies Inhibitors of Neuroblastoma Cell Colony Growth That Increase Lysosome AccumulationPreprint

Herp, D., Ridinger, J., Robaa, D., Shinsky, S. A., Schmidtkunz, K., Yesiloglu, T. Z., Bayer, T., Sehr, P. A., Gunkel, N., Miller, A. K., et al. (2020) · ChemRxiv · doi:10.26434/chemrxiv.12440096.v3 · Cited by 2

AR-A014418-based dual Glycogen Synthase Kinase 3β/Histone Deacetylase inhibitors as potential therapeutics for Alzheimer's disease

Santini, A., Tassinari, E., Altomare, A., Loi, M., Ciani, E., Trazzi, S., Piccarducci, R., Daniele, S., Martini, C., Pagliarani, B., et al. (2025) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2025.117838 · Cited by 5

Recommended Tool Compounds: Isoform- and Class-Specific Histone Deacetylase Inhibitors

Schäker‐Hübner, L., & Hansen, F. K. (2026) · ACS Pharmacology & Translational Science · doi:10.1021/acsptsci.5c00619 · Cited by 3

Contilistat, a New Multitarget Small Polyfunctionalized Indole Derivative

Hansen, F. K., Marco, J. L., Toledano‐Pinedo, M., Diez‐Iriepa, D., Porro-Pérez, A., Schäker‐Hübner, L., Hanl, M., Samadi, A., Almendros, P., Iriepa, I., et al. (2024) · Synlett · doi:10.1055/s-0043-1775419 · Cited by 2

Design, synthesis, and biological evaluation of quinazolin-4-one-based selective HDAC6 inhibitors targeting serine 531, histidine 614 residues, and the L1 and L2 loop

Gupta, S., Oh, Y. J., Kim, M. K., Ha, E., & Seo, Y. H. (2025) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2025.118184 · Cited by 1

Preclinical Characterization of SDFZ‐8, a Highly Potent HDAC1 Inhibitor, for Cancer Immunotherapy

Zhou, Y., Du, J., Li, X., Zhao, H., Xue, J., Liu, Y., Yang, X., Yu, J., Hou, X., & Fang, H. (2025) · MedComm · doi:10.1002/mco2.70500 · Cited by 1

A new computational cross-structure-activity relationship (C-SAR) approach applies to a selective HDAC6 inhibitor dataset for accelerated structure development

Kassab, S. E. (2025) · Computers in Biology and Medicine · doi:10.1016/j.compbiomed.2025.110169 · Cited by 1

In silico study of the synergistic anti-tumor effect of hybrid topoisomerase-HDAC inhibitors

Kashyap, K., & Kakkar, R. (2021) · Pure and Applied Chemistry · doi:10.1515/pac-2021-0111 · Cited by 1

First Fluorescent Acetylspermidine Deacetylation Assay for HDAC10 Identifies Inhibitors of Neuroblastoma Cell Colony Growth That Increase Lysosome AccumulationPreprint

Herp, D., Ridinger, J., Robaa, D., Shinsky, S. A., Schmidtkunz, K., Yesiloglu, T. Z., Bayer, T., Sehr, P. A., Gunkel, N., Miller, A. K., et al. (2020) · ChemRxiv · doi:10.26434/chemrxiv.12440096 · Cited by 1

Ar-A014418-Based Dual Glycogen Synthase Kinase 3β / Histone Deacetylases Inhibitors as Potential Therapeutics for Alzheimer's DiseasePreprint

Santini, A., Tassinari, E., Altomare, A., Loi, M., Ciani, E., Trazzi, S., Piccarducci, R., Daniele, S., Martini, C., Pagliarani, B., et al. (2025) · SSRN Electronic Journal · doi:10.2139/ssrn.5212874

Intepirdine Derivatives Possessing Dual 5HT6 Antagonism / HDAC6 Inhibitory Activity

Gkanas, A., Koutiva, M., Κάτσιλα, Θ., Bafiti, V., Matsoukas, M., Panagiotopoulos, V., Bojarski, A. J., Gkouvitsas, T., Moukas, G., & Rassias, G. A. (2025) · Chemistry - A European Journal · doi:10.1002/chem.202500025

Combinaisons de nouveaux inhibiteurs de désacétylase d’histones 6 avec des inhibiteurs de tyrosine kinase pour le traitement de la leucémie myéloïde chronique

Losson, H. (2020) · theses.fr (ABES) · doi:10.70675/4bf04224zf884z44dfz8928zaff56bbaeb88

Biochemical, biophysical and structural study of proteins associated to human diseases : tcDAC2 and ADAT complex

Ramos‐Morales, E. (2021) · theses.fr (ABES) · doi:10.70675/c6b28473zf6b6z4024z99bfz05629f0484d7

Macrophage-Centric Phenotypic Screening Identifies Tetrazolone-Based HDAC6 Inhibitors That Reprogram the Tumor Immune Microenvironment and Improve Immune Checkpoint Blockade

Gajendran, N., Suresh, M., Sebastian Marquez, R., Mohan, S., Ponsot, T., Quiceno-Torres, D., Noboa, M. A., Weselman, B. T., Li, X., Durr, M., et al. (2026) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.5c02453

Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6

Osko, J. D., Porter, N. J., Poli, A. N. R., Xiao, Y., Rokka, J., Jung, M., Hooker, J. M., Salvino, J. M., & Christianson, D. W. (2019) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.9b01540 · Cited by 56

Structural determinants of affinity and selectivity in the binding of inhibitors to histone deacetylase 6

Osko, J. D., & Christianson, D. W. (2020) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/j.bmcl.2020.127023 · Cited by 56

Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6

Porter, N. J., Wagner, F. F., & Christianson, D. W. (2018) · Biochemistry · doi:10.1021/acs.biochem.8b00367 · Cited by 64

Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors

Porter, N. J., Mahendran, A., Breslow, R., & Christianson, D. W. (2017) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1718823114 · Cited by 190

A Novel Zinc Binding Group for HDAC6 Inhibition

Cragin, A. D., Watson, P. R., König, B., Hansen, F. K., & Christianson, D. W. (2022) · The FASEB Journal · doi:10.1096/fasebj.2022.36.s1.r3604 · Cited by 10