Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A (Q33294825)

25 July 2017

Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype A (English)

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25 July 2017

5

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25 July 2017

Jing Tang

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25 July 2017

Jewn Giew Park

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2

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25 July 2017

Charles B Millard

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3

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25 July 2017

James J Schmidt

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4

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25 July 2017

language of work or name

English

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publication date

22 August 2007

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25 July 2017

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25 July 2017

2

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8

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25 July 2017

e761

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Creative Commons CC0 License

25 July 2017

start time

22 August 2007

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April 2022 Public Data File from Crossref

copyright status

copyrighted, dedicated to the public domain by copyright holder

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cites work

An in vitro and in vivo disconnect uncovered through high-throughput identification of botulinum neurotoxin A antagonists.

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The use of small molecules to investigate molecular mechanisms and therapeutic targets for treatment of botulinum neurotoxin A intoxication

21 June 2018

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Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons

21 June 2018

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Synthesis, characterization and development of a high-throughput methodology for the discovery of botulinum neurotoxin a inhibitors

21 June 2018

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Structure- and fragment-based approaches to protease inhibition

21 June 2018

1 reference

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Identification of a potent botulinum neurotoxin a protease inhibitor using in situ lead identification chemistry

21 June 2018

1 reference

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Small-molecule inhibitors of protein-protein interactions: progressing towards the dream

21 June 2018

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Fluorigenic substrates for the protease activities of botulinum neurotoxins, serotypes A, B, and F.

21 June 2018

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Successful molecular dynamics simulation of the zinc-bound farnesyltransferase using the cationic dummy atom approach.

21 June 2018

1 reference

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Botulism in the United States: a clinical and epidemiologic review

21 June 2018

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Botulinum toxin: from poison to remedy

21 June 2018

1 reference

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Highly potent, selective, and low cost bis-tetrahydroaminacrine inhibitors of acetylcholinesterase. Steps toward novel drugs for treating Alzheimer's disease.

21 June 2018

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Inhibition of angiotensin converting enzyme: mechanism and substrate dependence

21 June 2018

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15 Reversible enzyme inhibition

21 June 2018

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Novel small molecule inhibitors of botulinum neurotoxin A metalloprotease activity.

21 June 2018

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Bis-imidazoles as molecular probes for peripheral sites of the zinc endopeptidase of botulinum neurotoxin serotype A.

21 January 2018

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Substrate recognition strategy for botulinum neurotoxin serotype A.

21 January 2018

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Successful molecular dynamics simulation of two zinc complexes bridged by a hydroxide in phosphotriesterase using the cationic dummy atom method

21 January 2018

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Insight into the mechanism of the IMP-1 metallo-beta-lactamase by molecular dynamics simulations

21 January 2018

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Modeling domino effects in enzymes: molecular basis of the substrate specificity of the bacterial metallo-beta-lactamases IMP-1 and IMP-6.

21 January 2018

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Comparison of simple potential functions for simulating liquid water

21 January 2018

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Stereoselective synthesis of arylated (E)-alkenes by the reaction of alk-1-enylboranes with aryl halides in the presence of palladium catalyst

21 January 2018

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Palladium-catalyzed coupling reaction of terminal alkynes with aryl iodides in the presence of indium tribromide and its application to a one-pot synthesis of 2-phenylindole

21 January 2018

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Synthesis and GABA receptor potency of 3-thiomethyl-4-(hetero)aryl-5-amino-1-phenylpyrazoles.

21 January 2018

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Three-dimensional model of a substrate-bound SARS chymotrypsin-like cysteine proteinase predicted by multiple molecular dynamics simulations: catalytic efficiency regulated by substrate binding

21 January 2018

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

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Synthetic studies via the cross-coupling reaction of organoboron derivatives with organic halides

21 January 2018

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Palladium-Catalyzed Cross-Coupling Reactions of Organoboron Compounds

21 January 2018

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Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

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Molecular dynamics with coupling to an external bath

21 January 2018

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Improved solution- and solid-phase preparation of hydroxamic acids from esters

21 January 2018

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12 December 2020

Endoproteinase activity of type A botulinum neurotoxin: substrate requirements and activation by serum albumin

1 reference

12 December 2020

Nonbonded bivalence approach to cell-permeable molecules that target DNA sequences

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12 December 2020

Peptide substrate specificity and properties of the zinc-endopeptidase activity of botulinum type B neurotoxin

1 reference

12 December 2020

Intimate details of the most poisonous poison

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12 December 2020

The origin, structure, and pharmacological activity of botulinum toxin

1 reference

12 December 2020

Identification of a botulinum neurotoxin A protease inhibitor displaying efficacy in a cellular model

1 reference

12 December 2020

Serotype-selective, small-molecule inhibitors of the zinc endopeptidase of botulinum neurotoxin serotype A

1 reference

12 December 2020

10.1371/JOURNAL.PONE.0000761

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DOI

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25 July 2017

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25 July 2017

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