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Thiobarbiturates as Sirtuin Inhibitors: Virtual Screening, Free‐Energy Calculations, and Biological Testing
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Epigenetik – ein Epizentrum der Genregulation: Histone und histonmodifizierende Enzyme
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Phloroglucinolderivate Guttiferon G, Aristoforin und Hyperforin: Inhibitoren der menschlichen Sirtuine SIRT1 und SIRT2
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Phloroglucinol Derivatives Guttiferone G, Aristoforin, and Hyperforin: Inhibitors of Human Sirtuins SIRT1 and SIRT2
inferredcites →https://doi.org/10.1002/ardp.200500984openalex-snapshot
Chromatin Modifications as Targets for New Anticancer Drugs
inferredcites →https://doi.org/10.1002/cmdc.200700003openalex-snapshot
Structure–Activity Studies on Suramin Analogues as Inhibitors of NAD+‐Dependent Histone Deacetylases (Sirtuins)
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Converging free energy estimates: MM‐PB(GB)SA studies on the protein–protein complex Ras–Raf
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Development and testing of a general amber force field
inferredcites →https://doi.org/10.1002/jcc.20290openalex-snapshot
The Amber biomolecular simulation programs
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Comparison of multiple Amber force fields and development of improved protein backbone parameters
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model
inferredcites →https://doi.org/10.1007/s008940050119openalex-snapshot
Novel Zinc Protein Molecular Dynamics Simulations: Steps Toward Antiangiogenesis for Cancer Treatment
inferredcites →https://doi.org/10.1007/s10822-005-8483-7openalex-snapshot
Scoring Functions – the First 100 Years
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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
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Automatic atom type and bond type perception in molecular mechanical calculations
inferredcites →https://doi.org/10.1016/j.molcel.2005.02.022openalex-snapshot
Mechanism of Sirtuin Inhibition by Nicotinamide: Altering the NAD+ Cosubstrate Specificity of a Sir2 Enzyme
inferredcites →https://doi.org/10.1016/j.ymeth.2005.03.003openalex-snapshot
In vitro assays for the determination of histone deacetylase activity
inferredcites →https://doi.org/10.1016/j.ymeth.2005.03.004openalex-snapshot
Preparation of enzymatically active recombinant class III protein deacetylases
inferredcites →https://doi.org/10.1016/s0003-2697(03)00276-8openalex-snapshot
Nonisotopic substrate for assaying both human zinc and NAD+-dependent histone deacetylases
inferredcites →https://doi.org/10.1016/s0092-8674(01)00527-xopenalex-snapshot
hSIR2SIRT1 Functions as an NAD-Dependent p53 Deacetylase
inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
inferredcites →https://doi.org/10.1021/jm030473ropenalex-snapshot
Inhibitors of Sir2: Evaluation of Splitomicin Analogues
inferredcites →https://doi.org/10.1021/jm049933mopenalex-snapshot
An In Silico Approach to Discovering Novel Inhibitors of Human Sirtuin Type 2
inferredcites →https://doi.org/10.1021/jm050100lopenalex-snapshot
Design, Synthesis, and Biological Evaluation of Sirtinol Analogues as Class III Histone/Protein Deacetylase (Sirtuin) Inhibitors
inferredcites →https://doi.org/10.1021/jm050522vopenalex-snapshot
Discovery of Indoles as Potent and Selective Inhibitors of the Deacetylase SIRT1
inferredcites →https://doi.org/10.1021/jm060118bopenalex-snapshot
Adenosine Mimetics as Inhibitors of NAD+-Dependent Histone Deacetylases, from Kinase to Sirtuin Inhibition
inferredcites →https://doi.org/10.1021/jm060686ropenalex-snapshot
Discovering Inhibitors of Human Sirtuin Type 2: Novel Structural Scaffolds
inferredcites →https://doi.org/10.1021/jm700972eopenalex-snapshot
Structure–Activity Studies on Splitomicin Derivatives as Sirtuin Inhibitors and Computational Prediction of Binding Mode
inferredcites →https://doi.org/10.1038/35001622openalex-snapshot
Transcriptional silencing and longevity protein Sir2 is an NAD-dependent histone deacetylase
inferredcites →https://doi.org/10.1038/89668openalex-snapshot
Structure of the histone deacetylase SIRT2.
inferredcites →https://doi.org/10.1038/nature01960openalex-snapshot
Small molecule activators of sirtuins extend Saccharomyces cerevisiae lifespan
inferredcites →https://doi.org/10.1038/ng1018openalex-snapshot
Acetylation inactivates the transcriptional repressor BCL6
inferredcites →https://doi.org/10.1038/nrd772openalex-snapshot
Histone-deacetylase inhibitors: novel drugs for the treatment of cancer
inferredcites →https://doi.org/10.1038/sj.onc.1209049openalex-snapshot
Sirt1 inhibitor, Sirtinol, induces senescence-like growth arrest with attenuated Ras–MAPK signaling in human cancer cells
inferredcites →https://doi.org/10.1063/1.464397openalex-snapshot
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
inferredcites →https://doi.org/10.1074/jbc.m106779200openalex-snapshot
Identification of a Class of Small Molecule Inhibitors of the Sirtuin Family of NAD-dependent Deacetylases by Phenotypic Screening
inferredcites →https://doi.org/10.1080/00268978800101881openalex-snapshot
An analysis of the accuracy of Langevin and molecular dynamics algorithms
inferredcites →https://doi.org/10.1111/j.1747-0285.2008.00652.xopenalex-snapshot
Structure Function Analysis of Leishmania Sirtuin: An Ensemble of In Silico and Biochemical Studies
inferredcites →https://doi.org/10.1126/science.1143780openalex-snapshot
Sirtuin 2 Inhibitors Rescue α-Synuclein-Mediated Toxicity in Models of Parkinson's Disease
inferredcites →https://doi.org/10.1158/0008-5472.can-05-3617openalex-snapshot
Antitumor Activity of a Small-Molecule Inhibitor of Human Silent Information Regulator 2 Enzymes
inferredcites →https://doi.org/10.1167/iovs.07-0131openalex-snapshot
SIRT1 Activation Confers Neuroprotection in Experimental Optic Neuritis
inferredcites →https://doi.org/10.1186/gb-2004-5-5-224openalex-snapshot
Sirtuins: Sir2-related NAD-dependent protein deacetylases.
inferredcites →https://doi.org/10.1371/journal.pbio.0030041openalex-snapshot
SIRT1 Regulates HIV Transcription via Tat Deacetylation
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Novel Arylidene Thiobarbiturate Derivatives as Selective Acetylcholinesterase, Α-Glucosidase, and Nonclassical Human Carbonic Anhydrase Inhibitors: Biological Activity and Molecular Modeling Study
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Target‐Based Virtual Screening on Small‐Molecule Protein Binding Sites
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Use of the Monte Carlo Method for OECD Principles‐Guided QSAR Modeling of SIRT1 Inhibitors
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Identification of Tri‐ and Tetracyclic Pyrimidinediones as Sirtuin Inhibitors
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Barbiturate derivatives for managing multifaceted oncogenic pathways: A mini review
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A study on the physical properties of low melting mixtures and their use as catalysts/solvent in the synthesis of barbiturates
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NAD+-dependent histone deacetylases (sirtuins) as novel therapeutic targets
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The Current State of NAD+‐Dependent Histone Deacetylases (Sirtuins) as Novel Therapeutic Targets
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Sirtuin Inhibitors and Activators
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Application of Virtual Screening Approaches for the Identification of Small Molecule Inhibitors of the Methyllysine Reader Protein Spindlin1
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Sirtuins and Mammalian Aging
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Synthesis and evaluation of substituted 5-(3-chloro-2-oxo-4-phenylazetidin-1-ylamino)pyrimidine-2,4,6(1H,3H,5H)-triones against pentylenetetrazole-induced convulsant in mice
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Sirtuin insights: bridging the gap between cellular processes and therapeutic applications
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Structure-Based Design and Computational Studies of Sirtuin Inhibitors
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Sirtuins in inflammation and autoimmunity
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Targeting Sirtuins: Substrate Specificity and Inhibitor Design
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Sirtuins inhibitors: The approach to affinity and selectivity
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Synthesis and biological activity of splitomicin analogs targeted at human NAD+-dependent histone deacetylases (sirtuins)
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Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors
inferred← citeshttps://doi.org/10.1016/j.bmcl.2021.127922openalex-snapshot
Photodynamic activity and photoantimicrobial chemotherapy studies of ferrocene-substituted 2-thiobarbituric acid
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Histone deacetylase inhibitors that target tubulin
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Computer-aided Molecular Design of Compounds Targeting Histone Modifying Enzymes
inferred← citeshttps://doi.org/10.1016/j.ejmech.2016.04.063openalex-snapshot
How much successful are the medicinal chemists in modulation of SIRT1: A critical review
inferred← citeshttps://doi.org/10.1016/j.ejmech.2018.10.028openalex-snapshot
An overview of Sirtuins as potential therapeutic target: Structure, function and modulators
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5-Benzylidene-hydantoin is a new scaffold for SIRT inhibition: From virtual screening to activity assays
inferred← citeshttps://doi.org/10.1016/j.pdpdt.2020.102102openalex-snapshot
Photocytotoxicity of heavy-atom-free thiobarbituric acid functionalized pyrene derivatives against MCF-7 cancer cells
inferred← citeshttps://doi.org/10.1016/j.phrs.2020.104880openalex-snapshot
Emerging role of sirtuins in breast cancer metastasis and multidrug resistance: Implication for novel therapeutic strategies targeting sirtuins
inferred← citeshttps://doi.org/10.1021/acs.biochem.8b00483openalex-snapshot
Highly Sensitive Lysine Deacetylase Assay Based on Acetylated Firefly Luciferase
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Molecular Mechanisms of Diverse Activation Stimulated by Different Biased Agonists for the β2-Adrenergic Receptor
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A Comprehensive Computational Study of the Interaction between Human Serum Albumin and Fullerenes
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Discovery of 5-Benzylidene-2-phenyl-1,3-dioxane-4,6-diones as Highly Potent and Selective SIRT1 Inhibitors
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Targeting the BH3 Domain Mediated Protein−Protein Interaction of Bcl-xL through Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci5003203openalex-snapshot
Evaluation and Application of MD-PB/SA in Structure-Based Hierarchical Virtual Screening
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Comparative Modeling and Benchmarking Data Sets for Human Histone Deacetylases and Sirtuin Families
inferred← citeshttps://doi.org/10.1021/jm100861popenalex-snapshot
SIRT1 Modulation as a Novel Approach to the Treatment of Diseases of Aging
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Novel 3-Arylideneindolin-2-ones as Inhibitors of NAD+-Dependent Histone Deacetylases (Sirtuins)
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Structural and Synthetic Investigations of Tanikolide Dimer, a SIRT2 Selective Inhibitor, and Tanikolide seco-Acid from the Madagascar Marine Cyanobacterium Lyngbya majuscula
inferred← citeshttps://doi.org/10.1021/np9005184openalex-snapshot
Malyngolide Dimer, a Bioactive Symmetric Cyclodepside from the Panamanian Marine Cyanobacterium Lyngbya majuscula
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Ligand-based virtual screening and inductive learning for identification of SIRT1 inhibitors in natural products
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Lumican Peptides: Rational Design Targeting ALK5/TGFBRI
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Development of second generation epigenetic agents
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Binding free energy calculations and biological testing of novel thiobarbiturates as inhibitors of the human NAD+ dependent histone deacetylase Sirt2
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Rhodaninecarboxylic acids as novel inhibitors of histoneacetyltransferases
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Design and synthesis of amino acid derivatives of substituted benzimidazoles and pyrazoles as Sirt1 inhibitors
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Sirtuins, a key regulator of ageing and age-related neurodegenerative diseases
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Thermal and potentiometric studies for complexes of Zr and Hf with some barbituric acid derivatives
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Chromatin regulation in schistosomes and histone modifying enzymes as drug targets
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Design and Synthesis of Novel 3- Arylil 2-oxindole for Sirtuin 2 Inhibition
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Recent Advances in the Discovery of SIRT1/2 Inhibitors via Computational Methods: A Perspective
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Recent Advances in Inhibitors of Sirtuin1/2: An Update and Perspective
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Molecular Dynamics Simulation of SIRT1 Inhibitor from Indonesian Herbal Database
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Virtual Screening of Sesquiterpenoid Pogostemon herba as Predicted Cyclooxygenase Inhibitor
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Medicinal chemistry of histone deacetylase inhibitors
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Synthesis and Antimicrobial Activities of a Series of Disubstitutedarylazo-Barbituric- and Thiobarbituric Acid Derivatives
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