Advances in the computational development of DNA methyltransferase inhibitors.

No abstract is available for this paper.

• Publication year

  2011

• Venue

  Drug Discovery Today

• Publication date

  2011-05-01

• Fields of study

  Biology, Medicine, Chemistry, Computer Science

• Identifiers
  DOI 10.1016/j.drudis.2011.02.003PMID 21315180
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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

  2010cited by this paper
• Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation.

  2010cited by this paper
• Implications of fast-time scale dynamics of human DNA/RNA cytosine methyltransferases (DNMTs) for protein function

  2010cited by this paper
• Design, synthesis, inhibitory activity, and binding mode study of novel DNA methyltransferase 1 inhibitors.

  2010cited by this paper
• Impact on DNA methylation in cancer prevention and therapy by bioactive dietary components.

  2010cited by this paper
• Solving the Dnmt2 enigma

  2010cited by this paper
• Natural products as DNA methyltransferase inhibitors: a computer-aided discovery approach

  2010cited by this paper
• DNA methyltransferases and methyl-binding proteins of mammals.

  2010cited by this paper
• Flavonoids influence epigenetic-modifying enzyme activity: structure - function relationships and the therapeutic potential for cancer.

  2010cited by this paper
• Modulation of DNA Methylation by a Sesquiterpene Lactone Parthenolide

  2009cited by this paper
• Development of DNA methyltransferase inhibitors for the treatment of neoplastic diseases.

  2009cited by this paper
• Epi-drugs to fight cancer: from chemistry to cancer treatment, the road ahead.

  2009cited by this paper
• SAR around (l)-S-adenosyl-l-homocysteine, an inhibitor of human DNA methyltransferase (DNMT) enzymes.

  2009cited by this paper
• Epigenetic targets in drug discovery

  2009cited by this paper
• DNA Methyltransferase Inhibitors

  2009cited by this paper
• Curcumin is a potent DNA hypomethylation agent.

  2009cited by this paper
• Constrained (l-)-S-adenosyl-l-homocysteine (SAH) analogues as DNA methyltransferase inhibitors.

  2009cited by this paper
• A new class of quinoline-based DNA hypomethylating agents reactivates tumor suppressor genes by blocking DNA methyltransferase 1 activity and inducing its degradation.

  2009cited by this paper
• Early epigenetic changes and DNA damage do not predict clinical response in an overlapping schedule of 5-azacytidine and entinostat in patients with myeloid malignancies.

  2009cited by this paper
• Molecular Modeling and Molecular Dynamics Studies of Hydralazine with Human DNA Methyltransferase 1

  2009cited by this paper
• Mammalian cytosine DNA methyltransferase Dnmt1: enzymatic mechanism, novel mechanism-based inhibitors, and RNA-directed DNA methylation.

  2008cited by this paper
• Modes of action of the DNA methyltransferase inhibitors azacytidine and decitabine

  2008cited by this paper
• Targeting Epigenetic Mechanisms: Potential of Natural Products in Cancer Chemoprevention

  2008cited by this paper
• Mammalian DNA methyltransferases: a structural perspective.

  2008cited by this paper
• Constrained analogues of procaine as novel small molecule inhibitors of DNA methyltransferase-1.

  2008cited by this paper
• Anticancer drug discovery targeting DNA hypermethylation.

  2008cited by this paper
• Mithramycin A inhibits DNA methyltransferase and metastasis potential of lung cancer cells

  2007cited by this paper
• Structure of Dnmt3a bound to Dnmt3L suggests a model for de novo DNA methylation

  2007cited by this paper
• DNA Methylation Inhibitor 5-Aza-2′-Deoxycytidine Induces Reversible Genome-Wide DNA Damage That Is Distinctly Influenced by DNA Methyltransferases 1 and 3B

  2007cited by this paper
• Mahanine reverses an epigenetically silenced tumor suppressor gene RASSF1A in human prostate cancer cells.

  2007cited by this paper
• Inhibition of DNA methylation by antisense oligonucleotide MG98 as cancer therapy.

  2007cited by this paper
• Annurca apple polyphenols have potent demethylating activity and can reactivate silenced tumor suppressor genes in colorectal cancer cells.

  2007cited by this paper
• Discovery of two novel, small-molecule inhibitors of DNA methylation.

  2006cited by this paper
• Phase I Study of Decitabine-Mediated Gene Expression in Patients with Cancers Involving the Lungs, Esophagus, or Pleura

  2006cited by this paper
• Inhibition of DNA methylation by caffeic acid and chlorogenic acid, two common catechol-containing coffee polyphenols.

  2006cited by this paper
• Methylation of tRNAAsp by the DNA Methyltransferase Homolog Dnmt2

  2006cited by this paper
• Reversal of Hypermethylation and Reactivation of p16INK4a, RARβ, and MGMT Genes by Genistein and Other Isoflavones from Soy

  2005cited by this paper
• Mechanisms for the Inhibition of DNA Methyltransferases by Tea Catechins and Bioflavonoids

  2005cited by this paper
• Trapped in action: direct visualization of DNA methyltransferase activity in living cells

  2005cited by this paper
• Epigenetic reactivation of tumor suppressor genes by a novel small-molecule inhibitor of human DNA methyltransferases.

  2005cited by this paper
• Eukaryotic cytosine methyltransferases.

  2005cited by this paper
• Procainamide Is a Specific Inhibitor of DNA Methyltransferase 1*

  2005cited by this paper
• Computational Studies of 1-Hydrazinophthalazine (Hydralazine) as Antineoplasic Agent. Docking Studies on Methyltransferase

  2005cited by this paper
• Reversal of hypermethylation and reactivation of p16INK4a, RARbeta, and MGMT genes by genistein and other isoflavones from soy.

  2005cited by this paper
• Peyssonenynes a and B, novel enediyne oxylipins with DNA methyl transferase inhibitory activity from the red marine alga peyssonneliacaulifera.

  2004cited by this paper
• Psammaplins from the sponge Pseudoceratina purpurea: inhibition of both histone deacetylase and DNA methyltransferase.

  2003cited by this paper
• Mitoxantrone Mediates Demethylation and Re-Expression of Cyclin D2, Estrogen Receptor 14.3.3 Sigma In Breast Cancer Cells

  2003cited by this paper
• Tea polyphenol (-)-epigallocatechin-3-gallate inhibits DNA methyltransferase and reactivates methylation-silenced genes in cancer cell lines.

  2003cited by this paper
• Establishment and functional validation of a structural homology model for human DNA methyltransferase 1.

  2003cited by this paper
• Procaine is a DNA-demethylating agent with growth-inhibitory effects in human cancer cells.

  2003cited by this paper
• Distant Metastasis in Breast Cancer: Molecular Mechanisms and Therapeutic Targets

  2003cited by this paper
• Preferential Methylation of Unmethylated DNA by Mammaliande Novo DNA Methyltransferase Dnmt3a*

  2002cited by this paper
• Zebularine: a novel DNA methylation inhibitor that forms a covalent complex with DNA methyltransferases.

  2002cited by this paper
• The Mechanism of DNA Cytosine-5 Methylation

  2001cited by this paper
• DNA methylation, methyltransferases, and cancer

  2001cited by this paper
• Structure of human DNMT2, an enigmatic DNA methyltransferase homolog that displays denaturant-resistant binding to DNA.

  2001cited by this paper
• DNA containing 4'-thio-2'-deoxycytidine inhibits methylation by HhaI methyltransferase.

  1997cited by this paper
• Enzymatic C5-cytosine methylation of DNA: mechanistic implications of new crystal structures for HhaL methyltransferase-DNA-AdoHcy complexes.

  1996cited by this paper
• The crystal structure of Haelll methyltransferase covalently complexed to DNA: An extrahelical cytosine and rearranged base pairing

  1995cited by this paper
• The DNA (cytosine-5) methyltransferases

  1994cited by this paper
• Hhal methyltransferase flips its target base out of the DNA helix

  1994cited by this paper

• Annonaceous acetogenins as promising DNA methylation inhibitors to prevent and treat leukemogenesis – an in silico approach

  2023cites this paper
• Methyl benzoate and cinnamate analogs as modulators of DNA methylation in hepatocellular carcinoma

  2022cites this paper
• Molecular Similarity Perception Based on Machine-Learning Models

  2022cites this paper
• DNA Methylation Modulates Aging Process in Adipocytes

  2022cites this paper
• An Epigenetic Role of Mitochondria in Cancer

  2022cites this paper
• A Virtual Screening Platform Identifies Chloroethylagelastatin A as a Potential Ribosomal Inhibitor

  2020cites this paper
• De novo methyltransferases: Potential players in diseases and new directions for targeted therapy.

  2020cites this paper
• Attacking COVID-19 Progression Using Multi-Drug Therapy for Synergetic Target Engagement

  2020cites this paper
• Advances in small molecules in cellular reprogramming: effects, structures, and mechanisms.

  2020cites this paper
• Natural Products Impacting DNA Methyltransferases and Histone Deacetylases

  2020cites this paper
• Targeting Tmprss2, S-protein:Ace2, and 3CLpro for Synergetic Inhibitory Engagement

  2020cites this paper
• Dietary and Lifestyle Factors in Epigenetic Regulation of Cancer

  2019cites this paper
• Structural Bioinformatics

  2019cites this paper
• DISCOVERY OF NOVEL DNMT1 INHIBITOR BY FRAGMENT-BASED DRUG DESIGN AS A POTENTIAL BREAST CANCER TREATMENT

  2019cites this paper
• DNA Methylation as a Future Therapeutic and Diagnostic Target in Rheumatoid Arthritis

  2019cites this paper
• Presence of a consensus DNA motif at nearby DNA sequence of the mutation susceptible CG nucleotides.

  2018cites this paper
• Copaifera of the Neotropics: A Review of the Phytochemistry and Pharmacology

  2018cites this paper
• Procaine is a specific DNA methylation inhibitor with anti‐tumor effect for human gastric cancer

  2018influential citation
• Nanaomycin A Treatment Promotes Hepatoblast Differentiation from Human iPS Cells

  2018cites this paper
• Molecular Mechanism of Inhibition of DNA Methylation by Zebularine

  2017cites this paper
• Computational Approaches to Epigenetic Drug Discovery

  2017cites this paper
• In silico design of the first DNA-independent mechanism-based inhibitor of mammalian DNA methyltransferase Dnmt1

  2017cites this paper
• Identification of potent inhibitors of DNA methyltransferase 1 (DNMT1) through a pharmacophore-based virtual screening approach.

  2017cites this paper
• Drug Repurposing for Epigenetic Targets Guided by Computational Methods

  2016cites this paper
• Chapter 5 – In Silico Optimization of the First DNA-Independent Mechanism-Based Inhibitor of Mammalian DNA Methyltransferase DNMT1

  2016cites this paper
• Specific Inhibition of DNMT3A/ISGF3γ Interaction Increases the Temozolomide Efficiency to Reduce Tumor Growth

  2016cites this paper
• THE DESIGN AND SYNTHESIS OF SMALL MOLECULE DRUGS TO INHIBIT EPIGENETIC ALTERATIONS CAUSED BY DNA METHYLTRANSFERASE 1

  2016cites this paper
• Ensemble‐Based Virtual Screening and Experimental Validation of Inhibitors Targeting a Novel Site of Human DNMT1

  2016cites this paper
• Unraveling the Reaction Mechanism of Enzymatic C5-Cytosine Methylation of DNA. A Combined Molecular Dynamics and QM/MM Study of Wild Type and Gln119 Variant

  2016cites this paper
• Nutritional and Lifestyle Impact on Epigenetics and Cancer

  2016cites this paper
• Computational Structure–Activity Relationship Studies of Epigenetic Target Inhibitors

  2016cites this paper
• Epigenetic Therapy of Cancer

  2015cites this paper
• Developing new chemical tools for DNA methyltransferase 1 (DNMT 1): a small-molecule activity-based probe and novel tetrazole-containing inhibitors.

  2015cites this paper
• Discovery and development of DNA methyltransferase inhibitors using in silico approaches.

  2015cites this paper
• Synthetic approaches to the understanding of DNA nucleobase methylation

  2015cites this paper
• Activity landscape of DNA methyltransferase inhibitors bridges chemoinformatics with epigenetic drug discovery

  2015cites this paper
• Discovery and Development of Lead Compounds from Natural Sources Using Computational Approaches

  2015cites this paper
• Computer-aided Molecular Design of Compounds Targeting Histone Modifying Enzymes

  2015cites this paper
• Chapter 12 – Personalized Pharmacoepigenomics

  2015cites this paper
• Activity landscape of DNA methyltransferase inhibitors bridges chemoinformatics with epigenetic drug discovery

  2015cites this paper
• Identification of novel epigenetically inactivated gene PAMR1 in breast carcinoma.

  2015cites this paper
• Nimbolide targets BCL2 and induces apoptosis in preclinical models of Waldenströms macroglobulinemia

  2014cites this paper
• Dynamics and reactivity in Thermus aquaticus N6-adenine methyltransferase.

  2014cites this paper
• Rationalization of Activity Cliffs of a Sulfonamide Inhibitor of DNA Methyltransferases with Induced-Fit Docking

  2014cites this paper
• Targeting epigenetic mechanisms and microRNAs by aspirin and other non steroidal anti-inflammatory agents - implications for cancer treatment and chemoprevention

  2014cites this paper
• Toward Drug Repurposing in Epigenetics: Olsalazine as a Hypomethylating Compound Active in a Cellular Context

  2014cites this paper
• Hypermethylation-mediated transcriptional repression of TMPRSS2 in androgen receptor-negative prostate cancer cells

  2014cites this paper
• Antroquinonol D, isolated from Antrodia camphorata, with DNA demethylation and anticancer potential.

  2014cites this paper
• Specific inhibition of DNMT1/CFP1 reduces cancer phenotypes and enhances chemotherapy effectiveness.

  2014cites this paper
• Genistein inhibits DNA methylation and increases expression of tumor suppressor genes in human breast cancer cells

  2014cites this paper
• Interaction between DNA/histone methyltransferases and their inhibitors.

  2014cites this paper
• Modelling three-dimensional protein structures for applications in drug design.

  2014cites this paper
• Molecular Approaches to Explore Natural and Food-Compound Modulators in Cancer Epigenetics and Metabolism

  2014cites this paper
• Natural Polyphenols as Potent Inhibitors of DNA Methyltransferases

  2014cites this paper
• DNA cytosine methylation: structural and thermodynamic characterization of the epigenetic marking mechanism.

  2013cites this paper
• Targeting epigenetics in nervous system disease.

  2013cites this paper
• Epigenetic targeting therapies to overcome chemotherapy resistance.

  2013cites this paper
• Lost in translation. New unexplored avenues for neuropsychopharmacology: epigenetics and microRNAs

  2013cites this paper
• Molecular modeling and virtual screening of DNA methyltransferase inhibitors.

  2013cites this paper
• From Natural Products to Drugs for Epimutation Computer-Aided Drug Design

  2013cites this paper
• Docking of a novel DNA methyltransferase inhibitor identified from high-throughput screening: insights to unveil inhibitors in chemical databases

  2013cites this paper
• Chemoinformatic Characterization of the Chemical Space and Molecular Diversity of Compound Libraries

  2013cites this paper
• Interrogating Novel Areas of Chemical Space for Drug Discovery using Chemoinformatics

  2012cites this paper
• Znaczenie epigenetyki w patogenezie czerniaka

  2012cites this paper
• Inhibitors of DNA methyltransferases: insights from computational studies.

  2012cites this paper
• Expanding the medicinally relevant chemical space with compound libraries.

  2012cites this paper
• The role of DNA methylation in the pathogenesis and treatment of cancer.

  2012cites this paper
• Epigenetic events associated with breast cancer and their prevention by dietary components targeting the epigenome.

  2012cites this paper
• Perspectives on the Discovery of Small-Molecule Modulators for Epigenetic Processes

  2012cites this paper
• Epigenetic Drug Discovery

  2012cites this paper
• Modulation of Epigenetic Targets for Anticancer Therapy: Clinicopathological Relevance, Structural Data and Drug Discovery Perspectives

  2012cites this paper
• Epigenetic Modulations of Induced Pluripotent Stem Cells: Novel Therapies and Disease Models.

  2012cites this paper
• Molecular Modeling of Inhibitors of Human DNA Methyltransferase with a Crystal Structure

  2012influential citation
• DNA methyltransferase inhibitors in acute myeloid leukemia: discovery, design and first therapeutic experiences

  2012cites this paper
• Computer-guided discovery of epigenetics drugs: molecular modeling and identification of inhibitors of DNMT1

  2012cites this paper
• The role of epigenetics in the pathogenesis of melanoma

  2012influential citation
• Chemoinformatic Approaches for Inhibitors of DNA Methyltransferases: Comprehensive Characterization of Screening Libraries

  2011cites this paper
• Trimethylaurintricarboxylic acid inhibits human DNA methyltransferase 1: insights from enzymatic and molecular modeling studies

  2011cites this paper
• Discovery and Optimization of Inhibitors of DNA Methyltransferase as Novel Drugs for Cancer Therapy

  2011influential citation
• Molecular dynamics simulations of human DNA methyltransferase 3B with selective inhibitor nanaomycin A.

  2011influential citation
• Synthesis and biochemical evaluation of δ(2)-isoxazoline derivatives as DNA methyltransferase 1 inhibitors.

  2011cites this paper
• Homology modeling, docking and structure-based pharmacophore of inhibitors of DNA methyltransferase

  2011influential citation
• Insilico optimization of the first DNA-independent mechanism-based inhibitor of mammalian DNA methyltransferase Dnmt 1

  year unknowncites this paper