(Q51910625)

English

AmineDB: large scale docking of amines with CYP2D6 and scoring for druglike properties--towards defining the scope of the chemical defense against foreign amines in humans.

scientific article published in March 2007

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

AmineDB: large scale docking of amines with CYP2D6 and scoring for druglike properties--towards defining the scope of the chemical defense against foreign amines in humans. (English)

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

author name string

Costache AD

1

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

Trawick D

2

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

Bohl D

3

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

Sem DS

4

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

language of work or name

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publication date

1 March 2007

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

37

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

3

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

221-245

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

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1 reference

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Impact of incorporating the 2C5 crystal structure into comparative models of cytochrome P450 2D6.

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Solution structures of antimalarial drug-heme complexes

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

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The role of phenylalanine 483 in cytochrome P450 2D6 is strongly substrate dependent

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21 January 2018

Why is quinidine an inhibitor of cytochrome P450 2D6? The role of key active-site residues in quinidine binding.

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21 January 2018

The molecular mechanisms of two common polymorphisms of drug oxidation--evidence for functional changes in cytochrome P-450 isozymes catalysing bufuralol and mephenytoin oxidation

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21 January 2018

A model for human cytochrome P450 2D6 based on homology modeling and NMR studies of substrate binding

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21 January 2018

The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service

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Polymorphic formation of morphine from codeine in poor and extensive metabolizers of dextromethorphan: relationship to the presence of immunoidentified cytochrome P-450IID1.

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21 January 2018

Strategies for compound selection

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

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21 January 2018

ProMod and Swiss-Model: Internet-based tools for automated comparative protein modelling

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Crystal structure of human cytochrome P450 2D6

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Substrate interaction with cytochrome P-450.

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Structure of human microsomal cytochrome P450 2C8. Evidence for a peripheral fatty acid binding site

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SWISS-MODEL: An automated protein homology-modeling server

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Recent advances: the cytochrome P450 enzymes.

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Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities.

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Further development and validation of empirical scoring functions for structure-based binding affinity prediction

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Comparative evaluation of 11 scoring functions for molecular docking

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The structure of human cytochrome P450 2C9 complexed with flurbiprofen at 2.0-A resolution

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

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Identifiers

10.1080/00498250601089162

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

17 April 2018

http://europepmc.org/abstract/MED/17624022

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