Works (5)
Updated: July 5th, 2023 15:46
2016 journal article
Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 113(41), E6080–E6088.
author keywords: allostery; conformational selection; saturation mutagenesis; protein solvation; protein structure
MeSH headings : Allosteric Regulation; Allosteric Site; Amino Acid Substitution; Caspase 3 / chemistry; Caspase 3 / genetics; Caspase 3 / metabolism; Catalytic Domain; Crystallography, X-Ray; Enzyme Activation; Models, Molecular; Molecular Conformation; Molecular Dynamics Simulation; Mutagenesis; Protein Binding; Protein Conformation; Protein Multimerization; Quantitative Structure-Activity Relationship; Solubility; Water / chemistry
open access via europepmc.org (repository)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2013 journal article
Lengthening the Intersubunit Linker of Procaspase 3 Leads to Constitutive Activation
BIOCHEMISTRY, 52(36), 6219–6231.
MeSH headings : Apoptosis / physiology; Caspase 3 / chemistry; Caspase 3 / genetics; Caspase 3 / metabolism; Caspase Inhibitors / pharmacology; Catalytic Domain; Enzyme Activation; Enzyme Precursors / chemistry; Models, Chemical; Models, Molecular; Molecular Dynamics Simulation; Protein Conformation; Protein Multimerization
TL;DR:
The data show that releasing the strain of the short IL is not sufficient to populate the active conformer of the native ensemble, and it is shown that increasing the length of the IL by introducing 3-5 alanines results in constitutively active procaspases.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2012 journal article
Allosteric modulation of caspase 3 through mutagenesis
BIOSCIENCE REPORTS, 32(4), 401–411.
author keywords: allosteric site; apoptosis; caspase; inhibition; protein ensemble
MeSH headings : Allosteric Regulation / genetics; Allosteric Site / genetics; Amino Acid Substitution; Caspase 3 / chemistry; Caspase 3 / genetics; Catalytic Domain; Crystallography, X-Ray; Humans; Hydrogen Bonding; Molecular Dynamics Simulation; Mutagenesis, Site-Directed; Protein Interaction Domains and Motifs; Protein Structure, Secondary
TL;DR:
The results demonstrate that considering allosteric inhibition of caspase 3 as a shift between discrete ‘off-state’ or ‘on- state’ conformations is insufficient and requires the representation of an ensemble of inactive states and shows that subtle structural changes lead to the population of the inactive ensemble.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2011 journal article
A bifunctional allosteric site in the dimer interface of procaspase-3
BIOPHYSICAL CHEMISTRY, 159(1), 100–109.
author keywords: Caspase; Apoptosis; Allosteric activator; Drug design; Cancer therapy
MeSH headings : Allosteric Site; Caspase 3 / chemistry; Caspase 3 / metabolism; Enzyme Activation / drug effects; Humans; Models, Molecular; Protein Binding; Protein Multimerization; Small Molecule Libraries / chemistry; Small Molecule Libraries / pharmacology
TL;DR:
This work has utilized the allosteric site of caspase-3 to identify a small molecule activator of procaspase and to characterize its binding to the protease, and suggests that an efficient activator must stabilize the active conformer of the zymogen by expelling the intersubunit linker from the interface.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2010 review
The potential for caspases in drug discovery
[Review of ]. Current Opinion in Drug Discovery & Development, 13(5), 568–576.
Source: NC State University Libraries
Added: August 6, 2018
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