Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus FabI Enzyme–Product Complex (Q27678258)

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English	Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus FabI Enzyme–Product Complex	scientific article

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1 March 2020

Rational optimization of drug-target residence time: insights from inhibitor binding to the Staphylococcus aureus FabI enzyme-product complex (English)

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1 March 2020

Staphylococcus aureus

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Caroline Kisker

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1 March 2020

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1 March 2020

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1 March 2020

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Johannes Schiebel

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1 March 2020

Weixuan Yu

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1 March 2020

Gopal R Bommineni

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1 March 2020

Pan Pan

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1 March 2020

Michael V Baxter

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1 March 2020

Avinash Khanna

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1 March 2020

Christoph A Sotriffer

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1 March 2020

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6 June 2013

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1 March 2020

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1 March 2020

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1 March 2020

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1 March 2020

4217-4228

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1 March 2020

Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L

1 reference

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20 March 2017

Mode of Action, In Vitro Activity, and In Vivo Efficacy of AFN-1252, a Selective Antistaphylococcal FabI Inhibitor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3774598

20 March 2017

Staphylococcus aureus FabI: Inhibition, Substrate Recognition, and Potential Implications for In Vivo Essentiality

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3774598

20 March 2017

A Slow, Tight Binding Inhibitor of InhA, the Enoyl-Acyl Carrier Protein Reductase from Mycobacterium tuberculosis

1 reference

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20 March 2017

Slow-Onset Inhibition of the FabI Enoyl Reductase from Francisella tularensis : Residence Time and in Vivo Activity

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20 March 2017

Molecular basis of triclosan activity

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20 March 2017

Nasal carriage of Staphylococcus aureus: epidemiology, underlying mechanisms, and associated risks

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20 March 2017

A mechanism of drug action revealed by structural studies of enoyl reductase

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20 March 2017

Phasercrystallographic software

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20 March 2017

Scaling and assessment of data quality

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20 March 2017

Coot: model-building tools for molecular graphics

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20 March 2017

Refinement of macromolecular structures by the maximum-likelihood method

1 reference

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20 March 2017

Enzymatic Transition States, Transition-State Analogs, Dynamics, Thermodynamics, and Lifetimes

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20 March 2017

Inhibition of the Staphylococcus aureus NADPH-dependent enoyl-acyl carrier protein reductase by triclosan and hexachlorophene

1 reference

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20 March 2017

Mechanism and inhibition of saFabI, the enoyl reductase from Staphylococcus aureus

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20 March 2017

inhA, a gene encoding a target for isoniazid and ethionamide in Mycobacterium tuberculosis

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7 April 2017

Facilities for macromolecular crystallography at the Helmholtz-Zentrum Berlin

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29 September 2017

Conformational Adaptation in Drug–Target Interactions and Residence Time

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29 September 2017

Metabolic basis for the differential susceptibility of Gram-positive pathogens to fatty acid synthesis inhibitors.

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29 September 2017

The MUT056399 Inhibitor of FabI Is a New Antistaphylococcal Compound

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29 September 2017

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

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29 September 2017

Waves of resistance: Staphylococcus aureus in the antibiotic era.

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29 September 2017

The importance of drug-target residence time.

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29 September 2017

Synthesis and in vitro antimycobacterial activity of B-ring modified diaryl ether InhA inhibitors

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29 September 2017

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

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29 September 2017

Inhibitors of FabI, an enzyme drug target in the bacterial fatty acid biosynthesis pathway

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29 September 2017

Antistaphylococcal activities of CG400549, a new bacterial enoyl-acyl carrier protein reductase (FabI) inhibitor

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29 September 2017

Drug-target residence time and its implications for lead optimization

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29 September 2017

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29 September 2017

Secrets of success of a human pathogen: molecular evolution of pandemic clones of meticillin-resistant Staphylococcus aureus.

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29 September 2017

The behavior and significance of slow-binding enzyme inhibitors

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29 September 2017

AFN-1252, a FabI inhibitor, demonstrates a Staphylococcus-specific spectrum of activity

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Human immunodeficiency virus. Mutations in the viral protease that confer resistance to saquinavir increase the dissociation rate constant of the protease-saquinavir complex

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2 June 2018

Essentiality of FASII pathway for Staphylococcus aureus

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27 November 2018

Type II fatty acid synthesis is not a suitable antibiotic target for Gram-positive pathogens

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Triclosan as a substrate and inhibitor of 3'-phosphoadenosine 5'-phosphosulfate-sulfotransferase and UDP-glucuronosyl transferase in human liver fractions

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Inhibition of the bacterial enoyl reductase FabI by triclosan: a structure-reactivity analysis of FabI inhibition by triclosan analogues

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27 November 2018

Enoyl-ACP reductase (FabI) of Haemophilus influenzae: steady-state kinetic mechanism and inhibition by triclosan and hexachlorophene

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High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains ofMycobacterium tuberculosis

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Impact of enzyme concentration and residence time on apparent activity recovery in jump dilution analysis

1 reference

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12 December 2020

based on heuristic

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From triclosan toward the clinic: discovery of nonbiocidal, potent FabI inhibitors for the treatment of resistant bacteria

1 reference

https://pubmed.ncbi.nlm.nih.gov/23697754

12 December 2020

based on heuristic

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10.1021/BI400413C

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1 March 2020

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1 March 2020

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1 March 2020

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