Construction and Assessment of Models of CYP2E1: Predictions of Metabolism from Docking, Molecular Dynamics, and Density Functional Theoretical Calculations (Q44406089)

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scientific article published on April 24, 2003

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English	Construction and Assessment of Models of CYP2E1: Predictions of Metabolism from Docking, Molecular Dynamics, and Density Functional Theoretical Calculations	scientific article published on April 24, 2003

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

2 December 2017

Construction and assessment of models of CYP2E1: predictions of metabolism from docking, molecular dynamics, and density functional theoretical calculations (English)

1 reference

Europe PubMed Central

PubMed publication ID

2 December 2017

Construction and Assessment of Models of CYP2E1: Predictions of Metabolism from Docking, Molecular Dynamics, and Density Functional Theoretical Calculations (English)

1 reference

10.1021/JM020538A

https://api.crossref.org/works/10.1021/JM020538A

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molecular medicine

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author name string

Jin-Young Park

1

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Europe PubMed Central

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2 December 2017

Dan Harris

2

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Europe PubMed Central

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2 December 2017

language of work or name

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publication date

1 April 2003

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Europe PubMed Central

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2 December 2017

24 April 2003

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National Center for Biotechnology Information

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=12699383

25 December 2023

full work available at URL

https://pubs.acs.org/doi/pdf/10.1021/jm020538a

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10.1021/JM020538A

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Journal of Medicinal Chemistry

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Europe PubMed Central

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2 December 2017

46

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9

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Europe PubMed Central

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2 December 2017

1645-1660

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2 December 2017

Journal of Clinical Pharmacy and Therapeutics

1

25

175

author name string

Tanaka E.

publication date

2000

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10.1021/JM020538A

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Modulation of cytochrome P450 isozymes in human liver, by ethanol and drug intake

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25 December 2023

Archives of Biochemistry and Biophysics

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299

115

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Pan J.

publication date

1992

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Induction of the ethanol-inducible form of rabbit liver microsomal cytochrome P-450 by inhibitors of alcohol dehydrogenase

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25 December 2023

Journal of Biological Chemistry

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264

3572

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Song B. J.

publication date

1989

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Replacement of Thr-303 of P450 2E1 with serine modifies the regioselectivity of its fatty acid hydroxylase activity

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Mutagenesis at a highly conserved phenylalanine in cytochrome P450 2E1 affects heme incorporation and catalytic activity.

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Engineering microsomal cytochrome P450 2C5 to be a soluble, monomeric enzyme. Mutations that alter aggregation, phospholipid dependence of catalysis, and membrane binding

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Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity

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Microsomal cytochrome P450 2C5: comparison to microbial P450s and unique features

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Crystal structure of substrate-free Pseudomonas putida cytochrome P-450

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Crystal structure and refinement of cytochrome P450terp at 2.3 A resolution

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Crystal structure of hemoprotein domain of P450BM-3, a prototype for microsomal P450's

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Predicting the product specificity and coupling of cytochrome P450cam

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Oxidation of methoxyphenethylamines by cytochrome P450 2D6. Analysis of rate-limiting steps.

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Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory.

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Aliphatic hydroxylation by highly purified liver microsomal cytochrome P-450. Evidence for a carbon radical intermediate

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Revisiting the mechanism of P450 enzymes with the radical clocks norcarane and spiro[2,5]octane

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

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92

11080

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Yin H.

publication date

1995

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An assessment of the reaction energetics for cytochrome P450-mediated reactions

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The tissue distribution and the tissue specificity of bioactivation of some tobacco-specific and some other N-nitrosamines

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Biochimica et Biophysica Acta

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1035

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Dicker E.

publication date

1990

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Discriminative stimulus properties of the stereoisomers of the phosphodiesterase inhibitor rolipram

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Caffeine metabolism by human hepatic cytochromes P450: contributions of 1A2, 2E1 and 3A isoforms

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Drug Metabolism and Disposition

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Shimada T.

publication date

1997

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Chemical Research in Toxicology

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Chen W.

publication date

1998

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CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice

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Comparative protein modelling by satisfaction of spatial restraints

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Prediction of protein side-chain rotamers from a backbone-dependent rotamer library: a new homology modeling tool

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Exploring protein sequence space using knowledge-based potentials.

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PROCHECK: a program to check the stereochemical quality of protein structures

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A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

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Modified AutoDock for accurate docking of protein kinase inhibitors

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Metabolism of sirolimus and its derivative everolimus by cytochrome P450 3A4: insights from docking, molecular dynamics, and quantum chemical calculations

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METABOLISM OF VOLATILE ANASTHETICS. I. CONVERSION IN VIVO OF SEVERAL ANESTHETICS TO 14CO-2 AND CHLORIDE.

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Comparison of heme environment at the putative distal region of P-450s utilizing their external and internal nitrogenous ligand bound forms

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Differential effects of naturally occurring isothiocyanates on the activities of cytochrome P450 2E1 and the mutant P450 2E1 T303A.

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Identifiers

10.1021/JM020538A

1 reference

Europe PubMed Central

PubMed publication ID

2 December 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

2 December 2017

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