Expanding the Structural Diversity of DNA Methyltransferase Inhibitors

Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach

(2020) Edgar López-López et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Structure-Guided Identification of DNMT3B Inhibitors

(2020) Ana S. Newton et al.   ACS Medicinal Chemistry Letters

Defining, Calculating, and Converging Observables of a Kinetic Transition Network

(2020) Thomas D. Swinburne et al.   Journal of Chemical Theory and Computation

Two-hit wonders: The expanding universe of multitargeting epigenetic agents

(2020) Angel R. de Lera et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Natural Products Impacting DNA Methyltransferases and Histone Deacetylases

(2020) Sergi Herve Akone et al.   Frontiers in Pharmacology

DNA Methyltransferases in Cancer: Biology, Paradox, Aberrations, and Targeted Therapy

(2020) Jiayu Zhang et al.   Cancers

Recent progress on cheminformatics approaches to epigenetic drug discovery

(2020) Zoe Sessions et al.   DRUG DISCOVERY TODAY

Extended connectivity interaction features: improving binding affinity prediction through chemical description

(2020) Norberto Sánchez-Cruz et al.   BIOINFORMATICS

Clinicopathological and Preclinical Findings of NUT Carcinoma: A Multicenter Study

(2019) Minsun Jung et al.   ONCOLOGIST

Development of a versatile DNMT and HDAC inhibitor C02S modulating multiple cancer hallmarks for breast cancer therapy

(2019) Zigao Yuan et al.   BIOORGANIC CHEMISTRY

Advances in epigenetics link genetics to the environment and disease

(2019) Giacomo Cavalli et al.   NATURE

DNA methyltransferases: emerging targets for the discovery of inhibitors as potent anticancer drugs

(2019) Jie Yu et al.   DRUG DISCOVERY TODAY

Combining epigenetic drugs with other therapies for solid tumours — past lessons and future promise

(2019) Daphné Morel et al.   Nature Reviews Clinical Oncology

Synthesis of novel 3-halo-3-nitroflavanones and their activities as DNA methyltransferase inhibitors in cancer cells

(2019) Dany Pechalrieu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

The timeline of epigenetic drug discovery: from reality to dreams

(2019) A. Ganesan et al.   Clinical Epigenetics

Insights from pharmacological similarity of epigenetic targets in epipolypharmacology

(2018) J. Jesús Naveja et al.   DRUG DISCOVERY TODAY

Discovery of Reversible DNA Methyltransferase and Lysine Methyltransferase G9a Inhibitors with Antitumoral in Vivo Efficacy

(2018) Obdulia Rabal et al.   JOURNAL OF MEDICINAL CHEMISTRY

Markov State Models: From an Art to a Science

(2018) Brooke E. Husic et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A user's guide to the ambiguous word 'epigenetics'

(2018) John M. Greally   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Novel Consensus Docking Strategy to Improve Ligand Pose Prediction

(2018) Xiaodong Ren et al.   Journal of Chemical Information and Modeling

Activity Landscape and Molecular Modeling to Explore the SAR of Dual Epigenetic Inhibitors: A Focus on G9a and DNMT1

(2018) Edgar López-López et al.   MOLECULES

Inhibitors of DNA Methyltransferases From Natural Sources: A Computational Perspective

(2018) Fernanda I. Saldívar-González et al.   Frontiers in Pharmacology

Histone deacetylase inhibitor panobinostat potentiates the anti-cancer effects of mesenchymal stem cell-based sTRAIL gene therapy against malignant glioma

(2018) Seung Ah Choi et al.   CANCER LETTERS

Design, synthesis and anticancer potential of NSC-319745 hydroxamic acid derivatives as DNMT and HDAC inhibitors

(2017) Zigao Yuan et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Identification of potent inhibitors of DNA methyltransferase 1 (DNMT1) through a pharmacophore-based virtual screening approach

(2017) Shagun Krishna et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions

(2017) Qinghua Liao et al.   Journal of Physical Chemistry Letters

Progress on the Computational Development of Epigenetic Modulators of DNA Methyltransferases 3A and 3B

(2017) Oscar Palomino-Hernández et al.   Journal of the Mexican Chemical Society

The DNA methyltransferase family: a versatile toolkit for epigenetic regulation

(2017) Frank Lyko   NATURE REVIEWS GENETICS

Improvements to the APBS biomolecular solvation software suite

(2017) Elizabeth Jurrus et al.   PROTEIN SCIENCE

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

(2017) Peter Eastman et al.   PLoS Computational Biology

Combination of panobinostat with ponatinib synergistically overcomes imatinib-resistant CML cells

(2016) Yasufumi Matsuda et al.   CANCER SCIENCE

Design and synthesis ofN-benzoyl amino acid derivatives as DNA methylation inhibitors

(2016) Davide Garella et al.   Chemical Biology & Drug Design

Ensemble-Based Virtual Screening and Experimental Validation of Inhibitors Targeting a Novel Site of Human DNMT1

(2016) Manali Joshi et al.   Chemical Biology & Drug Design

Essential Role of DNA Methyltransferase 1–mediated Transcription of Insulin-like Growth Factor 2 in Resistance to Histone Deacetylase Inhibitors

(2016) Hye-Young Min et al.   CLINICAL CANCER RESEARCH

Are epigenetic drugs for diabetes and obesity at our door step?

(2016) Andrix O. Arguelles et al.   DRUG DISCOVERY TODAY

DNA methyltransferase inhibitors: an updated patent review (2012-2015)

(2016) Pan Xu et al.   EXPERT OPINION ON THERAPEUTIC PATENTS

Speed of Conformational Change: Comparing Explicit and Implicit Solvent Molecular Dynamics Simulations

(2015) Ramu Anandakrishnan et al.   BIOPHYSICAL JOURNAL

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

(2015) Robert T. McGibbon et al.   BIOPHYSICAL JOURNAL

Discovery and development of DNA methyltransferase inhibitors using in silico approaches

(2015) José L. Medina-Franco et al.   DRUG DISCOVERY TODAY

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models

(2015) Martin K. Scherer et al.   Journal of Chemical Theory and Computation

Resveratrol-salicylate derivatives as selective DNMT3 inhibitors and anticancer agents

(2015) Fahad S. Aldawsari et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Crystal Structure of Human DNA Methyltransferase 1

(2015) Zhi-Min Zhang et al.   JOURNAL OF MOLECULAR BIOLOGY

Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models

(2015) Nuria Plattner et al.   Nature Communications

Toward Drug Repurposing in Epigenetics: Olsalazine as a Hypomethylating Compound Active in a Cellular Context

(2014) Oscar Méndez-Lucio et al.   ChemMedChem

Challenges in developing novel DNA methyltransferases inhibitors for cancer therapy

(2014) Dominique Guianvarc'h et al.   Future Medicinal Chemistry

New Insights on the Mechanism of Quinoline-based DNA Methyltransferase Inhibitors

(2014) Christina Gros et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Targeting DNA Methylation with Small Molecules: What’s Next?

(2014) Alexandre Erdmann et al.   JOURNAL OF MEDICINAL CHEMISTRY

Conventional Hypoglycaemic Agents and the Risk of Lung Cancer in Patients with Diabetes: A Meta-Analysis

(2014) Ying Wu et al.   PLoS One

Epigenetics in clinical practice: the examples of azacitidine and decitabine in myelodysplasia and acute myeloid leukemia

(2013) E H Estey   LEUKEMIA

DNA Modifications and Neurological Disorders

(2013) Yi-Lan Weng et al.   Neurotherapeutics

Preparation of phenylethylbenzamide derivatives as modulators of DNMT3 activity

(2013) Anzhelika Kabro et al.   MedChemComm

Fuzzy spectral clustering by PCCA+: application to Markov state models and data classification

(2013) Susanna Röblitz et al.   Advances in Data Analysis and Classification

Inhibition of DNA methyltransferase activity and expression by treatment with the pan-deacetylase inhibitor panobinostat in hepatocellular carcinoma cell lines

(2012) Steffen Zopf et al.   BMC CANCER

DNMT (DNA methyltransferase) inhibitors radiosensitize human cancer cells by suppressing DNA repair activity

(2012) Hak Jae Kim et al.   Radiation Oncology

The inhibition of the mammalian DNA methyltransferase 3a (Dnmt3a) by dietary black tea and coffee polyphenols

(2011) Arumugam Rajavelu et al.   BMC BIOCHEMISTRY

The Epigenotype

(2011) C. H. Waddington   INTERNATIONAL JOURNAL OF EPIDEMIOLOGY

Markov models of molecular kinetics: Generation and validation

(2011) Jan-Hendrik Prinz et al.   JOURNAL OF CHEMICAL PHYSICS

Synthesis and Biochemical Evaluation of Δ2-Isoxazoline Derivatives as DNA Methyltransferase 1 Inhibitors

(2011) Sabrina Castellano et al.   JOURNAL OF MEDICINAL CHEMISTRY

Trimethylaurintricarboxylic acid inhibits human DNA methyltransferase 1: insights from enzymatic and molecular modeling studies

(2011) Jakyung Yoo et al.   JOURNAL OF MOLECULAR MODELING

Design, synthesis, and biological evaluation of N-acetyl-S-(p-chlorophenylcarbamoyl)cysteine and its analogs as a novel class of anticancer agents

(2010) Wei Chen et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Novel Inhibitors of Dengue Virus Methyltransferase: Discovery by in Vitro-Driven Virtual Screening on a Desktop Computer Grid

(2010) Michael Podvinec et al.   JOURNAL OF MEDICINAL CHEMISTRY

Nanaomycin A Selectively Inhibits DNMT3B and Reactivates Silenced Tumor Suppressor Genes in Human Cancer Cells

(2010) D. Kuck et al.   MOLECULAR CANCER THERAPEUTICS

Natural products as DNA methyltransferase inhibitors: a computer-aided discovery approach

(2010) Jose L. Medina-Franco et al.   MOLECULAR DIVERSITY

Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation

(2009) Dirk Kuck et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Combined inhibition of DNA methylation and histone acetylation enhances gene re-expression and drug sensitivity in vivo

(2009) N Steele et al.   BRITISH JOURNAL OF CANCER

Molecular Modeling and Molecular Dynamics Studies of Hydralazine with Human DNA Methyltransferase 1

(2009) Narender Singh et al.   ChemMedChem

Panobinostat (LBH589): a potent pan-deacetylase inhibitor with promising activity against hematologic and solid tumors

(2009) H Miles Prince et al.   Future Oncology

Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS

(2009) Oliver Korb et al.   Journal of Chemical Information and Modeling