Discovery of novel and highly potent dual-targeting PKMYT1/HDAC2 inhibitors for hepatocellular carcinoma through structure-based virtual screening and biological evaluation

Discovery of novel and highly potent dual-targeting PKMYT1/HDAC2 inhibitors for hepatocellular carcinoma through structure-based virtual screening and biological evaluation

Simultaneous inhibition of two or more pathways is playing a crucial role in the treatment of hepatocellular carcinoma with complex and diverse pathogenesis. However, there have been no reports of dual-targeting inhibitors for protein kinase membrane-associated tyrosine/threonine 1 (PKMYT1) and hist...

Full description

Saved in:

Bibliographic Details
Main Authors:	Yang Yang, Yuting Wang, Jing Chen, Miao-Miao Niu, Yongbin Wang, Xing Jin
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2024-11-01
Series:	Frontiers in Pharmacology
Subjects:	hepatocellular carcinoma PKMYT1 HDAC2 dual-targeting inhibitors virtual screening
Online Access:	https://www.frontiersin.org/articles/10.3389/fphar.2024.1491497/full
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Structure-based discovery and experimental validation of HIT101481851 as a potential PKMYT1 inhibitor for pancreatic cancer
by: Ting Wang, et al.
Published: (2025-06-01)

Discovery of novel and potent dual-targeting AXL/HDAC2 inhibitors for colorectal cancer treatment via structure-based pharmacophore modelling, virtual screening, and molecular docking, molecular dynamics simulation studies, and biological evaluation
by: Xiao Qiao, et al.
Published: (2024-12-01)

Novel dual-targeting inhibitors of NSD2 and HDAC2 for the treatment of liver cancer: structure-based virtual screening, molecular dynamics simulation, and in vitro and in vivo biological activity evaluations
by: Xing Jin, et al.
Published: (2024-12-01)

Design and synthesis of triazolopyridine derivatives as potent JAK/HDAC dual inhibitors with broad-spectrum antiproliferative activity
by: Zhengshui Xu, et al.
Published: (2024-12-01)

Meisoindigo Acts as a Molecular Glue to Target PKMYT1 for Degradation in Chronic Myeloid Leukemia Therapy
by: Zhao‐Xin Zhang, et al.
Published: (2025-06-01)

Discovery of novel biphenyl compounds bearing hydroxamic acid moiety as the first PD-L1/class I HDACs dual inhibitors
by: Dandan Yuan, et al.
Published: (2025-12-01)

A DNA/HDAC dual‐targeting drug CY190602 with significantly enhanced anticancer potency
by: Chuan Liu, et al.
Published: (2015-03-01)

Design, synthesis and biological evaluation of 2,4-pyrimidinediamine derivatives as ALK and HDACs dual inhibitors for the treatment of ALK addicted cancer
by: Dafeng Guo, et al.
Published: (2022-12-01)

Unraveling resistance mechanisms to the novel nucleoside analog RX-3117 in lung cancer: insights into DNA repair, cell cycle dysregulation and targeting PKMYT1 for improved therapy
by: Mahrou Vahabi, et al.
Published: (2025-07-01)

Discovery of a potential hematologic malignancies therapy: Selective and potent HDAC7 PROTAC degrader targeting non-enzymatic function
by: Yuheng Jin, et al.
Published: (2025-03-01)

Design and synthesis of novel HDAC6 inhibitor dimer as HDAC6 degrader for cancer treatment by palladium catalysed dimerisation
by: Ching Lin, et al.
Published: (2025-12-01)

Histone Deacetylase (HDAC) Inhibitors as a Novel Therapeutic Option Against Fibrotic and Inflammatory Diseases
by: Maria A. Theodoropoulou, et al.
Published: (2024-12-01)

HDAC1 and HDAC2 Are Involved in Influenza A Virus-Induced Nuclear Translocation of Ectopically Expressed STAT3-GFP
by: Jessica Leong, et al.
Published: (2024-12-01)

Butyrate Prevents Obesity Accompanied by HDAC9-Mediated Browning of White Adipose Tissue
by: Jing Yang, et al.
Published: (2025-01-01)

HDACs and Their Inhibitors on Post-Translational Modifications: The Regulation of Cardiovascular Disease
by: Siyi Yang, et al.
Published: (2025-07-01)

A Novel HDAC6 Inhibitor Ameliorates Imiquimod-Induced Psoriasis-Like Inflammation in Mice
by: Anqi Cao, et al.
Published: (2025-07-01)

Hit Identification and Functional Validation of Novel Dual Inhibitors of HDAC8 and Tubulin Identified by Combining Docking and Molecular Dynamics Simulations
by: Antonio Curcio, et al.
Published: (2024-11-01)

Regulatory mechanism of ABCB1 transcriptional repression by HDAC5 in rat hepatocytes under hypoxic environment
by: Ziqin Wei, et al.
Published: (2025-04-01)

dCas9-HDAC8-EGFP fusion enables epigenetic editing of breast cancer cells by H3K9 deacetylation
by: Mohammad Mijanur Rahman, et al.
Published: (2024-12-01)

Lactylation of HDAC1 Confers Resistance to Ferroptosis in Colorectal Cancer
by: Zhou Yang, et al.
Published: (2025-03-01)

Development of novel benzamide class I selective lysine deacetylase inhibitors as potent anticancer agents
by: Jason H. Gill, et al.
Published: (2025-12-01)

From molecular promise to preclinical results: HDAC inhibitors in the race for healthy aging drugs
by: Rebecca L McIntyre, et al.
Published: (2019-08-01)

Histone Deacetylase 6 (HDAC6) in Ciliopathies: Emerging Insights and Therapeutic Implications
by: Zhiyi Wang, et al.
Published: (2025-06-01)

Targeting Latent HIV Reservoirs: Effectiveness of Combination Therapy with HDAC and PARP Inhibitors
by: Hasset Tibebe, et al.
Published: (2025-03-01)

In Silico and in vitro evaluation of the anticancer effect of a 1,5-Benzodiazepin-2-One derivative (3b) revealing potent dual inhibition of HER2 and HDAC1
by: Nada S. Al-Theyab, et al.
Published: (2025-04-01)

PJA2 Suppresses Colorectal Cancer Progression by Controlling HDAC2 Degradation and Stability
by: Zhihao Chen, et al.
Published: (2025-04-01)

Association of changes in expression of HDAC and SIRT genes after drug treatment with cancer cell line sensitivity to kinase inhibitors
by: Julia Krushkal, et al.
Published: (2024-12-01)

HDAC3: A Multifaceted Modulator in Immunotherapy Sensitization
by: Rui Han, et al.
Published: (2025-02-01)

HDAC10 and its implications in Sézary syndrome pathogenesis
by: Monika Pieniawska, et al.
Published: (2025-01-01)

HDAC1 dysregulation induces aberrant cell cycle and DNA damage in progress of TDP‐43 proteinopathies
by: Cheng‐Chun Wu, et al.
Published: (2020-05-01)

The role of HDAC6 in fibrosis: a novel and effective therapy strategy
by: Liangliang Zheng, et al.
Published: (2025-07-01)

Overcoming resistance to anabolic SARM therapy in experimental cancer cachexia with an HDAC inhibitor
by: Sophia G Liva, et al.
Published: (2020-01-01)

CCT196969 inhibits TNBC by targeting the HDAC5/RXRA/ASNS axis to down-regulate asparagine synthesis
by: Qiong Yuan, et al.
Published: (2025-08-01)

A Novel HDAC6 Inhibitor Enhances the Efficacy of Paclitaxel Against Ovarian Cancer Cells
by: An-Jui Chi, et al.
Published: (2025-06-01)

Polydatin inhibits the stemness and angiogenesis of gastric cancer cells by targeting down-regulation of HDAC7
by: Jialin Zhou, et al.
Published: (2025-05-01)

HDAC4 regulates apoptosis in Acan‐CreERT2;HDAC4d/d mice with osteoarthritis by downregulating ATF4
by: Jingrui Huang, et al.
Published: (2025-05-01)

Discovery of novel and potent celastrol derivatives as PRDX1 inhibitors for cancer therapy through structure-based virtual screening
by: Lixia Guan, et al.
Published: (2025-07-01)

Martinostat as a novel HDAC inhibitor to overcome tyrosine kinase inhibitor resistance in chronic myeloid leukemia
by: Haeun Yang, et al.
Published: (2025-07-01)

The role of HDAC2 inhibition in cardioprotection against doxorubicin-induced myocardial injury
by: Jinsha Liu, et al.
Published: (2025-02-01)

Recent Advancements in the Development of HDAC/Tubulin Dual-Targeting Inhibitors
by: Christine Tran, et al.
Published: (2025-02-01)