Predicting in vivo drug interactions from in vitro drug discovery data (Q31011412)

28 June 2017

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title

Predicting in vivo drug interactions from in vitro drug discovery data (English)

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28 June 2017

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Larry C Wienkers

1

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PubMed ID

16224454

28 June 2017

Timothy G Heath

series ordinal

2

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28 June 2017

1 October 2005

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Nature Reviews Drug Discovery

28 June 2017

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28 June 2017

4

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28 June 2017

10

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28 June 2017

825-833

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Adverse drug reactions: definitions, diagnosis, and management

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The conduct of in vitro and in vivo drug-drug interaction studies: a Pharmaceutical Research and Manufacturers of America (PhRMA) perspective.

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Pharmacokinetics and metabolism in early drug discovery

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Prediction of the in vivo interaction between midazolam and macrolides based on in vitro studies using human liver microsomes

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Strategies and molecular probes to investigate the role of cytochrome P450 in drug metabolism: focus on in vitro studies.

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Fluorometric screening for metabolism-based drug--drug interactions

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Description of a 96-well plate assay to measure cytochrome P4503A inhibition in human liver microsomes using a selective fluorescent probe

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A high-capacity LC/MS system for the bioanalysis of samples generated from plate-based metabolic screening

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Validated assays for human cytochrome P450 activities

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Fluvoxamine-theophylline interaction: gap between in vitro and in vivo inhibition constants toward cytochrome P4501A2.

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Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

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Inhibition-based metabolic drug-drug interactions: predictions from in vitro data

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Kiiv, an in vivo parameter for predicting the magnitude of a drug interaction arising from competitive enzyme inhibition

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Use of in vitro and in vivo data to estimate the likelihood of metabolic pharmacokinetic interactions

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Prediction of in vivo drug metabolism in the human liver from in vitro metabolism data

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In vitro and in vivo drug interactions involving human CYP3A.

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Quantitative prediction of in vivo drug clearance and drug interactions from in vitro data on metabolism, together with binding and transport

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Qualitative and quantitative assessment of drug-drug interaction potential in man, based on Ki, IC50 and inhibitor concentration.

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Drug Metabolism and Drug Interactions: Application and Clinical Value of In Vitro Models

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Sense and nonsense in the prediction of drug-drug interactions

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Factors confounding the successful extrapolation of in vitro CYP3A inhibition information to the in vivo condition

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Impact of Nonspecific Binding to Microsomes and Phospholipid on the Inhibition of Cytochrome P4502D6: Implications for Relating in Vitro Inhibition Data to in Vivo Drug Interactions

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Effect of carbonate anion on cytochrome P450 2D6-mediated metabolism in vitro: the potential role of multiple oxygenating species

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Ion-trapping, microsomal binding, and unbound drug distribution in the hepatic retention of basic drugs

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Catalytic turnover of pyrene by CYP3A4: evidence that cytochrome b5 directly induces positive cooperativity

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Membrane properties induced by anionic phospholipids and phosphatidylethanolamine are critical for the membrane binding and catalytic activity of human cytochrome P450 3A4.

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Mechanism-based inactivators as probes of cytochrome P450 structure and function

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Metabolism of the cytochrome P450 mechanism-based inhibitor N-benzyl-1-aminobenzotriazole to products that covalently bind with protein in guinea pig liver and lung microsomes: comparative study with 1-aminobenzotriazole

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Mechanism-based inactivation of cytochrome P450 2B1 by 7-ethynylcoumarin: verification of apo-P450 adduction by electrospray ion trap mass spectrometry

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Mechanism-based inactivation of cytochrome P450 2D6 by 1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]- 4-[4-(trifluoromethyl)-2-pyridinyl]piperazine: kinetic characterization and evidence for apoprotein adduction

21 January 2018

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Novel reversible inactivation of cytochrome P450 2E1 T303A by tert-butyl acetylene: the role of threonine 303 in proton delivery to the active site of cytochrome P450 2E1.

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Covalent alteration of the CYP3A4 active site: evidence for multiple substrate binding domains

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The structure of human microsomal cytochrome P450 3A4 determined by X-ray crystallography to 2.05-A resolution

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The structure of human cytochrome P450 2C9 complexed with flurbiprofen at 2.0-A resolution

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Heterotropic cooperativity of cytochrome P450 3A4 and potential drug-drug interactions

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Pyrene.pyrene complexes at the active site of cytochrome P450 3A4: evidence for a multiple substrate binding site

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Atypical Enzyme Kinetics: Their Effect on In Vitro-In Vivo Pharmacokinetic Predictions and Drug Interactions

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Modelling atypical CYP3A4 kinetics: principles and pragmatism

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Differential enantioselectivity and product-dependent activation and inhibition in metabolism of verapamil by human CYP3As

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Multisite kinetic analysis of interactions between prototypical CYP3A4 subgroup substrates: midazolam, testosterone, and nifedipine

21 January 2018

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Conformational heterogeneity of cytochrome P450 3A4 revealed by high pressure spectroscopy.

21 January 2018

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Cooperativity in oxidations catalyzed by cytochrome P450 3A4.

21 January 2018

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CYP3A4 drug interactions: correlation of 10 in vitro probe substrates

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Enzyme kinetics of cytochrome P450-mediated reactions

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Activation of cytochrome P450 2C9-mediated metabolism: mechanistic evidence in support of kinetic observations

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Minimal in vivo activation of CYP2C9-mediated flurbiprofen metabolism by dapsone

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Cytochrome P450 pharmacogenetics in drug development: in vitro studies and clinical consequences

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Potential role of pharmacogenomics in reducing adverse drug reactions: a systematic review

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Cytochrome P450 2D6: overview and update on pharmacology, genetics, biochemistry

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Clinical relevance of genetic polymorphisms in the human CYP2C9 gene

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Pharmacogenetics of warfarin elimination and its clinical implications

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High-throughput screening assays for the assessment of CYP2C9*1, CYP2C9*2, and CYP2C9*3 metabolism using fluorogenic Vivid substrates.

21 January 2018

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Role of cytochrome P450 enzymes in drug-drug interactions.

21 January 2018

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Fully automated analysis of activities catalysed by the major human liver cytochrome P450 (CYP) enzymes: assessment of human CYP inhibition potential

31 March 2020

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In vitro drug interactions of cytochrome p450: an evaluation of fluorogenic to conventional substrates

31 March 2020

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Application of a generic fast gradient liquid chromatography tandem mass spectrometry method for the analysis of cytochrome P450 probe substrates

31 March 2020

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Evaluation of methods for predicting drug-drug interactions by Monte Carlo simulation

31 March 2020

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Pronounced and differential effects of ionic strength and pH on testosterone oxidation by membrane-bound and purified forms of rat liver microsomal cytochrome P-450

31 March 2020

1 reference

Mechanism-based enzyme inactivators

31 March 2020

1 reference

Isoform-selective mechanism-based inhibition of human cytochrome P450 1A2 by furafylline

31 March 2020

1 reference

Evaluation of atypical cytochrome P450 kinetics with two-substrate models: evidence that multiple substrates can simultaneously bind to cytochrome P450 active sites

31 March 2020

1 reference

31 March 2020

Identifiers

DOI

10.1038/NRD1851

1 reference

PubMed ID

16224454

Dimensions Publication ID

28 June 2017

0 references

1 reference

PubMed ID

16224454