Approaches to design non-covalent inhibitors for human granzyme B (hGrB). (Q35296702)

7 August 2017

title

Approaches to design non-covalent inhibitors for human granzyme B (hGrB). (English)

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7 August 2017

author

Anthony G. M. Barrett

object named as

Anthony G M Barrett

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7 August 2017

Mi-Sun Kim

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7 August 2017

Lauriane A Buisson

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7 August 2017

Dean A Heathcote

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7 August 2017

Haipeng Hu

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7 August 2017

D Christopher Braddock

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7 August 2017

Philip G Ashton-Rickardt

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7 August 2017

James P Snyder

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7 August 2017

publication date

1 November 2014

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Organic and Biomolecular Chemistry

7 August 2017

published in

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7 August 2017

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7 August 2017

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7 August 2017

page(s)

8952-8965

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LPS antagonism reduces graft-versus-host disease and preserves graft-versus-leukemia activity after experimental bone marrow transplantation

7 August 2017

cites work

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Granzyme B and perforin are important for regulatory T cell-mediated suppression of tumor clearance

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A combinatorial approach defines specificities of members of the caspase family and granzyme B. Functional relationships established for key mediators of apoptosis

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The three-dimensional structure of human granzyme B compared to caspase-3, key mediators of cell death with cleavage specificity for aspartic acid in P1

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Discovery of potent, selective human granzyme B inhibitors that inhibit CTL mediated apoptosis

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Structural basis of substrate specificity in the serine proteases

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Potent peptide inhibitors of human hepatitis C virus NS3 protease are obtained by optimizing the cleavage products

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Comparative assessment of scoring functions on a diverse test set.

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Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.

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Potential and limitations of ensemble docking

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Druggability indices for protein targets derived from NMR-based screening data

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Unraveling hot spots in binding interfaces: progress and challenges

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Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques

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Crystal structure of the caspase activator human granzyme B, a proteinase highly specific for an Asp-P1 residue

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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

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Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

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Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

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Granzymes (lymphocyte serine proteases): characterization with natural and synthetic substrates and inhibitors

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Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease.

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Analogous inhibitors of elastase do not always bind analogously

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Automated analysis of interatomic contacts in proteins

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Identifiers

DOI

10.1039/C4OB01874E

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7 August 2017

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