(Q51479490)

English

Docking and QSAR comparative studies of polycyclic aromatic hydrocarbons and other procarcinogen interactions with cytochromes P450 1A1 and 1B1.

scientific article published on 8 December 2011

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scholarly article

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Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

Docking and QSAR comparative studies of polycyclic aromatic hydrocarbons and other procarcinogen interactions with cytochromes P450 1A1 and 1B1. (English)

1 reference

Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

polycyclic aromatic hydrocarbons

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based on heuristic

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author name string

J Gonzalez

1

1 reference

Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

N Marchand-Geneste

2

1 reference

Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

J L Giraudel

3

1 reference

Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

T Shimada

4

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Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

publication date

8 December 2011

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Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

SAR and QSAR in Environmental Research

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Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

23

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Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

1-2

1 reference

Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

87-109

1 reference

Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

Metabolic activation of polycyclic aromatic hydrocarbons to carcinogens by cytochromes P450 1A1 and 1B1.

1 reference

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Metabolic activation of polycyclic and heterocyclic aromatic hydrocarbons and DNA damage: a review

1 reference

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Stereospecific activation of the procarcinogen benzo[a]pyrene: a probe for the active sites of the cytochrome P450 superfamily

1 reference

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21 January 2018

Xenobiotic-metabolizing enzymes involved in activation and detoxification of carcinogenic polycyclic aromatic hydrocarbons

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Cytochrome P450 1B1 determines susceptibility to dibenzo[a,l]pyrene-induced tumor formation

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Stable expression of human cytochrome P450 1B1 in V79 Chinese hamster cells and metabolically catalyzed DNA adduct formation of dibenzo[a,l]pyrene

1 reference

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21 January 2018

Metabolic activation of dibenzo[a,l]pyrene by human cytochrome P450 1A1 and P450 1B1 expressed in V79 Chinese hamster cells.

1 reference

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21 January 2018

Cytochrome p450 and chemical toxicology

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Cytochrome P450 1B1: a target for inhibition in anticarcinogenesis strategies

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21 January 2018

Metabolic activation of polycyclic aromatic hydrocarbons and other procarcinogens by cytochromes P450 1A1 and P450 1B1 allelic variants and other human cytochromes P450 in Salmonella typhimurium NM2009

1 reference

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Reverse type I binding spectra of human cytochrome P450 1B1 induced by flavonoid, stilbene, pyrene, naphthalene, phenanthrene, and biphenyl derivatives that inhibit catalytic activity: a structure-function relationship study

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Comparative homology modeling of human cytochrome P4501A1 (CYP1A1) and confirmation of residues involved in 7-ethoxyresorufin O-deethylation by site-directed mutagenesis and enzyme kinetic analysis

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Characterization of substrate binding to cytochrome P450 1A1 using molecular modeling and kinetic analyses: case of residue 382.

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The effect of reciprocal active site mutations in human cytochromes P450 1A1 and 1A2 on alkoxyresorufin metabolism

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Ensemble modeling of substrate binding to cytochromes P450: analysis of catalytic differences between CYP1A orthologs.

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Molecular modeling of cytochrome P450 1A1: enzyme-substrate interactions and substrate binding affinities

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Effect of structural modification on the inhibitory selectivity of rutaecarpine derivatives on human CYP1A1, CYP1A2, and CYP1B1.

1 reference

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21 January 2018

In silico studies of polyaromatic hydrocarbon inhibitors of cytochrome P450 enzymes 1A1, 1A2, 2A6, and 2B1.

1 reference

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21 January 2018

Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays

1 reference

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21 January 2018

The Universal Protein Resource (UniProt) in 2010

1 reference

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21 January 2018

Protein structure homology modeling using SWISS-MODEL workspace.

1 reference

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21 January 2018

SWISS-MODEL: An automated protein homology-modeling server

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

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New AMBER force field parameters of heme iron for cytochrome P450s determined by quantum chemical calculations of simplified models.

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Structural e-bioinformatics and drug design.

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21 January 2018

Recognition of errors in three-dimensional structures of proteins

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https://api.crossref.org/works/10.1080%2F1062936X.2011.636380

21 January 2018

Stereochemistry of polypeptide chain configurations

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21 January 2018

LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites

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21 January 2018

Detailed analysis of grid-based molecular docking: A case study of CDOCKER-A CHARMm-based MD docking algorithm.

1 reference

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21 January 2018

PMF scoring revisited

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Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs

1 reference

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21 January 2018

A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

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21 January 2018

Quantitative structural-activity relationship (QSAR) study for fungicidal activities of thiazoline derivatives against rice blast

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Artificial neural networks for computer-based molecular design.

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R: A Language for Data Analysis and Graphics

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Adaptations for the oxidation of polycyclic aromatic hydrocarbons exhibited by the structure of human P450 1A2

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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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Mechanism of oxidation reactions catalyzed by cytochrome p450 enzymes.

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Cytochrome p450 in silico: an integrative modeling approach.

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Molecular modelling of CYP1 family enzymes CYP1A1, CYP1A2, CYP1A6 and CYP1B1 based on sequence homology with CYP102

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Pi-pi interactions: the geometry and energetics of phenylalanine-phenylalanine interactions in proteins

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The nature of .pi.-.pi. interactions

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Modelling the metabolic action of human and rat CYP1A2 and its relationship with the carcinogenicity of heterocyclic amines

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Identifiers

10.1080/1062936X.2011.636380

1 reference

Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

5 April 2018

http://europepmc.org/abstract/MED/22150106

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