Compound lipophilicity for substrate binding to human P450s in drug metabolism (Q35795856)

10 August 2017

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title

Compound lipophilicity for substrate binding to human P450s in drug metabolism (English)

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10 August 2017

David F V Lewis

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10 August 2017

Miriam N Jacobs

series ordinal

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10 August 2017

Maurice Dickins

series ordinal

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10 August 2017

publication date

1 June 2004

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10 August 2017

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10 August 2017

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10 August 2017

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10 August 2017

page(s)

530-537

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Summary of information on human CYP enzymes: human P450 metabolism data

10 August 2017

cites work

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7 January 2021

Human cytochrome P450 enzymes: a status report summarizing their reactions, substrates, inducers, and inhibitors

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7 January 2021

Development of a comprehensive panel of antibodies against the major xenobiotic metabolising forms of cytochrome P450 in humans

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7 January 2021

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

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7 January 2021

Human cytochromes P450 associated with the phase 1 metabolism of drugs and other xenobiotics: a compilation of substrates and inhibitors of the CYP1, CYP2 and CYP3 families

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7 January 2021

Pharmacokinetics and metabolism in early drug discovery

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7 January 2021

Substrate SARs in human P450s

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7 January 2021

Baseline lipophilicity relationships in human cytochromes P450 associated with drug metabolism

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7 January 2021

Quantitative structure-activity relationships of cytochrome P-450.

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7 January 2021

QSAR of P450 oxidation: on the value of comparing kcat and km with kcat/km

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7 January 2021

Estimating xenobiotic half-lives in humans from rat data: influence of log P

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7 January 2021

On the Estimation of Binding Affinity (&#916;Gbind) for Human P450 Substrates (Based on Km and K&#916; Values)

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7 January 2021

Computational approaches to the understanding of ADMET properties and problems

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7 January 2021

Partition coefficients and their uses

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7 January 2021

Property-based design: optimization of drug absorption and pharmacokinetics

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7 January 2021

Pharmaceutical profiling in drug discovery

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7 January 2021

The characterization of chemical structures using molecular properties. A survey

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7 January 2021

Prediction of intestinal absorption and blood-brain barrier penetration by computational methods

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7 January 2021

Parametrization of electrophilicity for the prediction of the toxicity of aromatic compounds

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7 January 2021

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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7 January 2021

The role of substrate lipophilicity in determining type 1 microsomal P450 binding characteristics

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7 January 2021

The influence of nonspecific microsomal binding on apparent intrinsic clearance, and its prediction from physicochemical properties.

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7 January 2021

Development of a generalized, quantitative physicochemical model of CYP3A4 inhibition for use in early drug discovery

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7 January 2021

Quantitative structure activity relationship for the effect of benzoic acids, cinnamic acids and benzaldehydes on Listeria monocytogenes.

1 reference

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7 January 2021

The role of lipophilicity in the inhibition of polymorphic cytochrome P450IID6 oxidation by beta-blocking agents in vitro

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7 January 2021

Interaction of 7-n-alkoxycoumarins with cytochrome P-4502 and their partitioning into liposomal membranes. Assessment of methods for determination of membrane partition coefficients

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7 January 2021

Modelling of interaction of basic lipophilic ligands with cytochrome P-450 reconstituted in liposomes. Determination of membrane partition coefficients of S-(-)-nicotine and N,N-diethylaniline from spectral binding studies and fluorescence quenching

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7 January 2021

The role of CYP2B6 in human xenobiotic metabolism

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7 January 2021

Application of hydrogen bonding calculations in property based drug design.

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7 January 2021

Hydrogen bonding in human p450-substrate interactions: a major contribution to binding affinity.

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7 January 2021

Molecular Binding Interactions: Their Estimation and Rationalization in QSARs in Terms of Theoretically Derived Parameters.

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7 January 2021

Comparison of the dynamics of substrate access channels in three cytochrome P450s reveals different opening mechanisms and a novel functional role for a buried arginine

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7 January 2021

Pharmacophore modeling of cytochromes P450.

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7 January 2021

Computational methods for the prediction of 'drug-likeness'

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7 January 2021

Understanding and Estimating Membrane/Water Partition Coefficients: Approaches To Derive Quantitative Structure Property Relationships

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7 January 2021

Atom/fragment contribution method for estimating octanol-water partition coefficients.

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https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2903115-0

7 January 2021

Simple Method of Calculating Octanol/Water Partition Coefficient

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7 January 2021

ElogPoct: a tool for lipophilicity determination in drug discovery

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7 January 2021

Octanol‐Water Partition Coefficients of Simple Organic Compounds

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7 January 2021

Evaluation of a reversed-phase column (supelcosil LC-ABZ) under isocratic and gradient elution conditions for estimating octanol-water partition coefficients

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https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2903115-0

7 January 2021

A molecular model of CYP2D6 constructed by homology with the CYP2C5 crystallographic template: investigation of enzyme-substrate interactions

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https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2903115-0

7 January 2021

Aromatic rings act as hydrogen bond acceptors

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https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2903115-0

7 January 2021

10.1016/S1359-6446(04)03115-0

Identifiers

DOI

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10 August 2017

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