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Mechanism-based enzyme activating compounds

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides
inferredcites →https://doi.org/10.1002/(sici)1096-987x(19990130)20:2<217::aid-jcc4>3.0.co;2-aopenalex-snapshot
Approximate atomic surfaces from linear combinations of pairwise overlaps (LCPO)
inferredcites →https://doi.org/10.1002/1096-987x(200009)21:12<1049::aid-jcc3>3.0.co;2-fopenalex-snapshot
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
inferredcites →https://doi.org/10.1002/anie.201610082openalex-snapshot
Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules
inferredcites →https://doi.org/10.1002/jcc.20289openalex-snapshot
Scalable molecular dynamics with NAMD
inferredcites →https://doi.org/10.1002/prot.20033openalex-snapshot
Exploring protein native states and large‐scale conformational changes with a modified generalized born model
inferredcites →https://doi.org/10.1002/prot.21123openalex-snapshot
Comparison of multiple Amber force fields and development of improved protein backbone parameters
inferredcites →https://doi.org/10.1007/s12154-008-0012-4openalex-snapshot
Brought to life: targeted activation of enzyme function with small molecules
inferredcites →https://doi.org/10.1016/0021-9991(77)90098-5openalex-snapshot
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
inferredcites →https://doi.org/10.1016/j.bpj.2012.03.030openalex-snapshot
Structural Role of RKS Motifs in Chromatin Interactions: A Molecular Dynamics Study of HP1 Bound to a Variably Modified Histone Tail
inferredcites →https://doi.org/10.1016/j.celrep.2013.01.005openalex-snapshot
SIRT3 Reverses Aging-Associated Degeneration
inferredcites →https://doi.org/10.1016/j.celrep.2014.01.031openalex-snapshot
The SIRT1 Activator SRT1720 Extends Lifespan and Improves Health of Mice Fed a Standard Diet
inferredcites →https://doi.org/10.1016/j.molcel.2004.12.032openalex-snapshot
Chemical Activation of Sir2-Dependent Silencing by Relief of Nicotinamide Inhibition
inferredcites →https://doi.org/10.1016/j.str.2004.02.005openalex-snapshot
Structural Basis for Allosteric Regulation of the Monomeric Allosteric Enzyme Human Glucokinase
inferredcites →https://doi.org/10.1016/j.str.2008.05.015openalex-snapshot
Structural Insights into Intermediate Steps in the Sir2 Deacetylation Reaction
inferredcites →https://doi.org/10.1016/s0022-2836(65)80285-6openalex-snapshot
On the nature of allosteric transitions: A plausible model
inferredcites →https://doi.org/10.1021/acs.biochem.5b00150openalex-snapshot
Kinetic and Structural Basis for Acyl-Group Selectivity and NAD+ Dependence in Sirtuin-Catalyzed Deacylation
inferredcites →https://doi.org/10.1021/bi00865a047openalex-snapshot
Comparison of Experimental Binding Data and Theoretical Models in Proteins Containing Subunits *
inferredcites →https://doi.org/10.1021/ct300377aopenalex-snapshot
Exploring Residue Component Contributions to Dynamical Network Models of Allostery
inferredcites →https://doi.org/10.1021/jo301067eopenalex-snapshot
Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5
inferredcites →https://doi.org/10.1021/jp0261814openalex-snapshot
Large and Fast Relaxations inside a Protein: Calculation and Measurement of Reorganization Energies in Alcohol Dehydrogenase
inferredcites →https://doi.org/10.1021/jp0742261openalex-snapshot
Molecular Dynamics Simulations of p53 DNA-Binding Domain
inferredcites →https://doi.org/10.1021/sb300094qopenalex-snapshot
Synthetic Biology and Metabolic Engineering
inferredcites →https://doi.org/10.1038/nature10815openalex-snapshot
The sirtuin SIRT6 regulates lifespan in male mice
inferredcites →https://doi.org/10.1038/ncomms7263openalex-snapshot
Selective Sirt2 inhibition by ligand-induced rearrangement of the active site
inferredcites →https://doi.org/10.1038/ncomms7656openalex-snapshot
Honokiol blocks and reverses cardiac hypertrophy in mice by activating mitochondrial Sirt3
inferredcites →https://doi.org/10.1038/sj.emboj.7601416openalex-snapshot
Allosteric activation of the protein kinase PDK1 with low molecular weight compounds
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/10.1063/1.4899053openalex-snapshot
Dynamics and control of DNA sequence amplification
inferredcites →https://doi.org/10.1063/1.4996838openalex-snapshot
Molecular system identification for enzyme directed evolution and design
inferredcites →https://doi.org/10.1073/pnas.0401057101openalex-snapshot
Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD + -dependent Sir2 histone/protein deacetylases
inferredcites →https://doi.org/10.1073/pnas.0505397102openalex-snapshot
Sequence optimization and designability of enzyme active sites
inferredcites →https://doi.org/10.1073/pnas.1303628110openalex-snapshot
Ex-527 inhibits Sirtuins by exploiting their unique NAD + -dependent deacetylation mechanism
inferredcites →https://doi.org/10.1074/jbc.c113.511261openalex-snapshot
Activation of the Protein Deacetylase SIRT6 by Long-chain Fatty Acids and Widespread Deacylation by Mammalian Sirtuins
inferredcites →https://doi.org/10.1091/mbc.01-10-0482openalex-snapshot
Mutations inSaccharomyces cerevisiaeGeneSIR2Can Have Differential Effects on In Vivo Silencing Phenotypes and In Vitro Histone Deacetylation Activity
inferredcites →https://doi.org/10.1101/2020.04.17.045187openalex-snapshot
Nonallosteric Sirtuin Enzyme Activation: Characterization of Hit Compounds
inferredcites →https://doi.org/10.1101/gad.13.19.2570openalex-snapshot
The SIR2/3/4 complex and SIR2 alone promote longevity in Saccharomyces cerevisiae by two different mechanisms
inferredcites →https://doi.org/10.1111/acel.12220openalex-snapshot
SRT 2104 extends survival of male mice on a standard diet and preserves bone and muscle mass
inferredcites →https://doi.org/10.1126/science.1108595openalex-snapshot
Allosteric Mechanisms of Signal Transduction
inferredcites →https://doi.org/10.1126/science.1162403openalex-snapshot
Small Molecule-Induced Allosteric Activation of the Vibrio cholerae RTX Cysteine Protease Domain
inferredcites →https://doi.org/10.1126/science.1231097openalex-snapshot
Evidence for a Common Mechanism of SIRT1 Regulation by Allosteric Activators
inferredcites →https://doi.org/10.1126/science.aaa2361openalex-snapshot
A mitochondrial UPR-mediated metabolic checkpoint regulates hematopoietic stem cell aging
inferredcites →https://doi.org/10.1146/annurev-pharmtox-010611-134657openalex-snapshot
Small-Molecule Allosteric Activators of Sirtuins
inferredcites →https://doi.org/10.1371/journal.pone.0107729openalex-snapshot
Mechanism of Inhibition of the Human Sirtuin Enzyme SIRT3 by Nicotinamide: Computational and Experimental Studies
inferredcites →https://doi.org/10.1371/journal.pone.0194175openalex-snapshot
Biophysical characterization of hit compounds for mechanism-based enzyme activation
inferredcites →https://doi.org/10.15252/embj.201386907openalex-snapshot
SIRT2 induces the checkpoint kinase BubR1 to increase lifespan
inferredcites →https://doi.org/10.3390/e17052895openalex-snapshot
AIM for Allostery: Using the Ising Model to Understand Information Processing and Transmission in Allosteric Biomolecular Systems

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1016/j.bmc.2022.116999openalex-snapshot
Discovery of novel compounds as potent activators of Sirt3
inferred← citeshttps://doi.org/10.1038/s44320-025-00111-7openalex-snapshot
An enzyme activation network reveals extensive regulatory crosstalk between metabolic pathways
inferred← citeshttps://doi.org/10.1101/2020.04.17.045187openalex-snapshot
Nonallosteric Sirtuin Enzyme Activation: Characterization of Hit Compounds
inferred← citeshttps://doi.org/10.1101/2023.11.16.567372openalex-snapshot
An enzyme activation network provides evidence for extensive regulatory crosstalk between metabolic pathways
inferred← citeshttps://doi.org/10.1103/physrevx.14.041019openalex-snapshot
Computationally Driven Discovery and Characterization of SIRT3-Activating Compounds that Fully Recover Catalytic Activity under NAD + Depletion
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