Conformational adaptation in drug-target interactions and residence time (Q39711928)

14 September 2017

Conformational adaptation in drug-target interactions and residence time (English)

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14 September 2017

Robert A Copeland

1

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14 September 2017

1 September 2011

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Future Medicinal Chemistry

14 September 2017

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14 September 2017

3

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14 September 2017

12

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14 September 2017

1491-1501

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Drug-target residence time and its implications for lead optimization

14 September 2017

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Residence time of receptor-ligand complexes and its effect on biological function

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

The role of dynamic conformational ensembles in biomolecular recognition

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Ligand binding assays at equilibrium: validation and interpretation

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Novel inhibition of porcine pepsin by a substituted piperidine. Preference for one of the enzyme conformers

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Biochemical mechanisms of drug action: what does it take for success?

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Conformational selection or induced fit: a flux description of reaction mechanism

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Slow ligand-induced transitions in the allosteric phosphofructokinase from Escherichia coli.

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Selected-fit versus induced-fit protein binding: kinetic differences and mutational analysis.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Structural biology contributions to tyrosine kinase drug discovery

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Potent inhibitors of HIV-1 integrase display a two-step, slow-binding inhibition mechanism which is absent in a drug-resistant T66I/M154I mutant

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

The crystal structure of tetrameric methionine adenosyltransferase from rat liver reveals the methionine-binding site

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

The relationship between side reactions and slow inhibition of ribulose-bisphosphate carboxylase revealed by a loop 6 mutant of the tobacco enzyme.

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Hepatitis C NS3 protease inhibition by peptidyl-alpha-ketoamide inhibitors: kinetic mechanism and structure

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Kinetic and structural analysis of the increased affinity of enoyl-ACP (acyl-carrier protein) reductase for triclosan in the presence of NAD+.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Slow antagonist dissociation and long-lasting in vivo receptor protection

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Early integration of pharmacokinetic and dynamic reasoning is essential for optimal development of lead compounds: strategic considerations

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Drug-target residence time: critical information for lead optimization.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Tunneling in Ligand Binding to Heme Proteins

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

A biochemical rationale for the anticancer effects of Hsp90 inhibitors: slow, tight binding inhibition by geldanamycin and its analogues

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Biochemical characterization of GSK1070916, a potent and selective inhibitor of Aurora B and Aurora C kinases with an extremely long residence time1.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Kinetic evidence for a 'mnemonical' mechanism for rat liver glucokinase

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Escherichia coli alkaline phosphatase. An analysis of transient kinetics

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Dynamics connect substrate recognition to catalysis in protein kinase A

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Mechanism of selective inhibition of the inducible isoform of prostaglandin G/H synthase

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

The kinetic factors that determine the affinity and selectivity for slow binding inhibition of human prostaglandin H synthase 1 and 2 by indomethacin and flurbiprofen

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Purine nucleoside phosphorylase from Mycobacterium tuberculosis. Analysis of inhibition by a transition-state analogue and dissection by parts

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Tight-binding inhibitors-II. Non-steady state nature of inhibition of milk xanthine oxidase by allopurinol and alloxanthine and of human erythrocytic adenosine deaminase by coformycin

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

The isoniazid-NAD adduct is a slow, tight-binding inhibitor of InhA, the Mycobacterium tuberculosis enoyl reductase: adduct affinity and drug resistance

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Methotrexate, a high-affinity pseudosubstrate of dihydrofolate reductase

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Inhibition and binding kinetics of the hepatitis C virus NS3 protease inhibitor ITMN-191 reveals tight binding and slow dissociative behavior

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Preclinical profile of VX-950, a potent, selective, and orally bioavailable inhibitor of hepatitis C virus NS3-4A serine protease

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Binding kinetics of darunavir to human immunodeficiency virus type 1 protease explain the potent antiviral activity and high genetic barrier

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Pseudoirreversible inhibition of prostate-specific membrane antigen by phosphoramidate peptidomimetics

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Slow onset inhibition of bacterial beta-ketoacyl-acyl carrier protein synthases by thiolactomycin

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Characterization of an Akt kinase inhibitor with potent pharmacodynamic and antitumor activity

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Discovery and clinical development of dutasteride, a potent dual 5alpha-reductase inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Induced-fit tightens pleuromutilins binding to ribosomes and remote interactions enable their selectivity

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Efavirenz binding to HIV-1 reverse transcriptase monomers and dimers

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Mutagenesis and mechanism-based inhibition of Streptococcus pyogenes Glu-tRNAGln amidotransferase implicate a serine-based glutaminase site

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Mechanism of time-dependent inhibition of polypeptide deformylase by actinonin

21 January 2018

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https://api.crossref.org/works/10.4155%2FFMC.11.112

Mechanism of inhibition of human KSP by ispinesib

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

A slow, tight-binding inhibitor of the zinc-dependent deacetylase LpxC of lipid A biosynthesis with antibiotic activity comparable to ciprofloxacin

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Molecular mechanism for inhibition of 3-hydroxy-3-methylglutaryl CoA (HMG-CoA) reductase by rosuvastatin

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

The inactivation of lipoxygenase-1 from soybeans by amidrazones

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Competitive and slow-binding inhibition of calcineurin by drug x immunophilin complexes.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Slow-tight binding inhibition of xylanase by an aspartic protease inhibitor: kinetic parameters and conformational changes that determine the affinity and selectivity of the bifunctional nature of the inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

1400W is a slow, tight binding, and highly selective inhibitor of inducible nitric-oxide synthase in vitro and in vivo

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Mechanism of Inhibition of beta-site amyloid precursor protein-cleaving enzyme (BACE) by a statine-based peptide

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

Aminophosphonate inhibitors of dialkylglycine decarboxylase: structural basis for slow binding inhibition

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.11.112

21 January 2018

Identifiers

DOI

10.4155/FMC.11.112

1 reference

14 September 2017

1 reference

PubMed ID

21882942