(Q30499595)

14 October 2017

Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450. (English)

1 reference

14 October 2017

Adrian J Mulholland

2

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Jeremy N. Harvey

object named as

Jeremy N Harvey

series ordinal

3

0 references

author name string

Julianna Oláh

series ordinal

1

1 reference

PMC publication ID

3076858

14 October 2017

language of work or name

English

0 references

publication date

28 March 2011

1 reference

Proceedings of the National Academy of Sciences of the United States of America

14 October 2017

1 reference

14 October 2017

108

1 reference

14 October 2017

15

1 reference

14 October 2017

6050-6055

1 reference

Compound I reactivity defines alkene oxidation selectivity in cytochrome P450cam

14 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

QSAR of cytochrome inhibitors

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Understanding CYP2D6 interactions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Substrate specificity, inhibitors and regulation of human cytochrome P450 2D6 and implications in drug development

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

CHARMM: the biomolecular simulation program

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Theoretical and experimental studies of the conversion of chromopyrrolic acid to an antitumor derivative by cytochrome P450 StaP: the catalytic role of water molecules

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Impact of plasticity and flexibility on docking results for cytochrome P450 2D6: a combined approach of molecular dynamics and ligand docking.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

An overview of the relations between polymorphisms in drug metabolising enzymes and drug transporters and survival after cancer drug treatment

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Insights into drug metabolism by cytochromes P450 from modelling studies of CYP2D6-drug interactions.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

A new paradigm for electrostatic catalysis of radical reactions in vitamin B12 enzymes

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

The effect of heme environment on the hydrogen abstraction reaction of camphor in P450cam catalysis: a QM/MM study

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Crystal structure of human cytochrome P450 2D6

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Three-dimensional quantitative structure-activity relationship analysis of cytochromes p450: effect of incorporating higher-affinity ligands and potential new applications

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Genetic polymorphisms of cytochrome P450 2D6 (CYP2D6): clinical consequences, evolutionary aspects and functional diversity

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Cytochrome P450 enzymes: novel options for cancer therapeutics.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Phe120 contributes to the regiospecificity of cytochrome P450 2D6: mutation leads to the formation of a novel dextromethorphan metabolite.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

The metabolism of ethers in the rabbit. I. Anisole and diphenyl ether

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Characteristics and common properties of inhibitors, inducers, and activators of CYP enzymes

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Pharmacophore modeling of cytochromes P450.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Heme-Containing Oxygenases

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Development and current status of the CHARMM force field for nucleic acids.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

In vitro and in vivo drug interactions involving human CYP3A.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Incidence of adverse drug reactions in hospitalized patients: a meta-analysis of prospective studies

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Metabolism of dextromethorphan in vitro: involvement of cytochromes P450 2D6 and 3A3/4, with a possible role of 2E1.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

Quantitative structure-activity relationships of cytochrome P-450.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3076858

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

20 June 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010194108

Predicting drug metabolism--an evaluation of the expert system METEOR.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010194108

MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010194108

Prediction of activation energies for hydrogen abstraction by cytochrome p450.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010194108

QM/MM modeling of benzene hydroxylation in human cytochrome P450 2C9.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010194108

A proton-shuttle mechanism mediated by the porphyrin in benzene hydroxylation by cytochrome p450 enzymes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010194108

Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010194108

Residues glutamate 216 and aspartate 301 are key determinants of substrate specificity and product regioselectivity in cytochrome P450 2D6.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010194108

Brain chemistry: how does P450 catalyze the O-demethylation reaction of 5-methoxytryptamine to yield serotonin?

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010194108

Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010194108

The role of arene oxide-oxepin systems in the metabolism of aromatic substrates. III. Formation of 1,2-naphthalene oxide from naphthalene by liver microsomes

21 January 2018

1 reference

12 December 2020

Metabolism of acetanilides and anisoles with rat liver microsomes

1 reference

12 December 2020

Regioselectivity of cytochrome P-450 catalyzed hydroxylation of fluorobenzenes predicted by calculated frontier orbital substrate characteristics

1 reference

12 December 2020

Drug-drug interactions in medical patients: effects of in-hospital treatment and relation to multiple drug use

1 reference

12 December 2020

Spin-forbidden CO ligand recombination in myoglobin

1 reference

12 December 2020

Does substrate oxidation determine the regioselectivity of cyclohexene and propene oxidation by cytochrome p450?

1 reference

12 December 2020

Isotopically labeled chlorobenzenes as probes for the mechanism of cytochrome P-450 catalyzed aromatic hydroxylation

1 reference

12 December 2020

Electronic Structure of Compound I in Human Isoforms of Cytochrome P450 from QM/MM Modeling

1 reference

12 December 2020

Effects of oxygen concentration on the metabolism of anisole homologues by rat liver microsomes

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.1010194108

1 reference

14 October 2017

0 references

1 reference

PMC publication ID

3076858

14 October 2017

PubMed publication ID

21444768

1 reference

PMC publication ID

3076858