(Q46185299)

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Development of a new predictive model for interactions with human cytochrome P450 2A6 using pharmacophore ensemble/support vector machine (PhE/SVM) approach

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

Development of a new predictive model for interactions with human cytochrome P450 2A6 using pharmacophore ensemble/support vector machine (PhE/SVM) approach (English)

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

support vector machine

1 reference

based on heuristic

inferred from title

author name string

Max K Leong

1

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

Yen-Ming Chen

2

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

Hong-Bin Chen

3

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

Po-Hong Chen

4

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

language of work or name

1 reference

based on heuristic

inferred from title

publication date

23 December 2008

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

Pharmaceutical Research

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

26

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

4

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

987-1000

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

Relative expression of cytochrome P450 isoenzymes in human liver and association with the metabolism of drugs and xenobiotics

1 reference

https://api.crossref.org/works/10.1007%2FS11095-008-9807-9

21 January 2018

Cytochrome P450 pharmacogenetics and cancer.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Protein flexibility and computer-aided drug design

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Bioactivation of tegafur to 5-fluorouracil is catalyzed by cytochrome P-450 2A6 in human liver microsomes in vitro

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A comparative molecular field analysis of cytochrome P450 2A5 and 2A6 inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The role of cytochrome P450 enzymes in endogenous signalling pathways and environmental carcinogenesis

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Inhibitory effects of neurotransmitters and steroids on human CYP2A6.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A novel approach using pharmacophore ensemble/support vector machine (PhE/SVM) for prediction of hERG liability

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Predictive value of comparative molecular field analysis modelling of naphthalene inhibition of human CYP2A6 and mouse CYP2A5 enzymes

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure of microsomal cytochrome P450 2B4 complexed with the antifungal drug bifonazole: insight into P450 conformational plasticity and membrane interaction.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Validated assays for human cytochrome P450 activities

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Alterations of the catalytic activities of drug-metabolizing enzymes in cultures of human liver slices

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Homology modelling of human CYP2 family enzymes based on the CYP2C5 crystal structure

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

More potent inhibition of human CYP2A6 than mouse CYP2A5 enzyme activities by derivatives of phenylethylamine and benzaldehyde

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Inhibition of human liver microsomal (S)-nicotine oxidation by (-)-menthol and analogues

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Metabolism and disposition kinetics of nicotine

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Inhibitory effects of memantine on human cytochrome P450 activities: prediction of in vivo drug interactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Cytochrome P450 and liver diseases

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

CYP2A6: a human coumarin 7-hydroxylase

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Cytochrome P450 gene polymorphism and cancer

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Prediction of cytochrome P450 2B6-substrate interactions using pharmacophore ensemble/support vector machine (PhE/SVM) approach

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Towards in silico lead optimization: scores from ensembles of protein/ligand conformations reliably correlate with biological activity

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Nicotine-related alkaloids and metabolites as inhibitors of human cytochrome P-450 2A6.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure of a substrate complex of mammalian cytochrome P450 2C5 at 2.3 A resolution: evidence for multiple substrate binding modes

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Enzymes involved in the bioactivation of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in patas monkey lung and liver microsomes.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural basis for ligand promiscuity in cytochrome P450 3A4.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Homology modelling of CYP2A6 based on the CYP2C5 crystallographic template: enzyme-substrate interactions and QSARs for binding affinity and inhibition

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Computational models for predicting interactions with cytochrome p450 enzyme

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural change in response to ligand binding.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Contribution of human hepatic cytochrome p450 isoforms to the metabolism of psychotropic drugs

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Drugs and genotypes: how pharmacogenetic information could improve smoking cessation treatment.

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Overview of the pharmacogenomics of cigarette smoking

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Polypharmacy: an undervalued component of complexity in the care of elderly patients

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Pronounced differences in inhibition potency of lactone and non-lactone compounds for mouse and human coumarin 7-hydroxylases (CYP2A5 and CYP2A6)

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of inhibitors of the nicotine metabolising CYP2A6 enzyme--an in silico approach

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Multiple diverse ligands binding at a single protein site: a matter of pre-existing populations

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular modelling of the human cytochrome P450 isoform CYP2A6 and investigations of CYP2A substrate selectivity

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Clinical importance of the cytochromes P450

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Inhibition of oxidative drug metabolism by orphenadrine: in vitro and in vivo evidence for isozyme-specific complexation of cytochrome P-450 and inhibition kinetics

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The CYP2A6*4 allele is determinant of S-1 pharmacokinetics in Japanese patients with non-small-cell lung cancer

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The interaction of a homologous series of hydrocarbons with hepatic cytochrome P-450. Molecular orbital-derived electronic and structural parameters influencing the haemoprotein spin state

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ethnic-related differences in coumarin 7-hydroxylation activities catalyzed by cytochrome P4502A6 in liver microsomes of Japanese and Caucasian populations

1 reference

https://pubmed.ncbi.nlm.nih.gov/19104915

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/S11095-008-9807-9

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

20 December 2017

http://europepmc.org/abstract/MED/19104915

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