Use of simple docking methods to screen a virtual library for heteroactivators of cytochrome P450 2C9. (Q33274718)

25 July 2017

title

Use of simple docking methods to screen a virtual library for heteroactivators of cytochrome P450 2C9. (English)

1 reference

25 July 2017

1 reference

ChEBI release 2020-05-28

1 reference

ChEBI release 2020-05-28

Charles W Locuson

1

1 reference

25 July 2017

Peter M Gannett

series ordinal

2

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25 July 2017

Robyn Ayscue

series ordinal

3

1 reference

25 July 2017

Timothy S Tracy

series ordinal

4

1 reference

25 July 2017

language of work or name

English

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publication date

21 February 2007

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Journal of Medicinal Chemistry

25 July 2017

published in

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25 July 2017

volume

50

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25 July 2017

issue

6

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25 July 2017

page(s)

1158-1165

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Structural basis for ligand promiscuity in cytochrome P450 3A4.

25 July 2017

cites work

1 reference

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21 June 2018

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21 June 2018

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21 June 2018

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Non-Michaelis-Menten kinetics in cytochrome P450-catalyzed reactions

21 June 2018

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ZINC--a free database of commercially available compounds for virtual screening

21 June 2018

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Modeling kinetic data from in vitro drug metabolism enzyme experiments

21 June 2018

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

21 June 2018

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21 June 2018

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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

21 June 2018

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Lead discovery using molecular docking

21 June 2018

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CYP2C-catalyzed delta9-tetrahydrocannabinol metabolism: kinetics, pharmacogenetics and interaction with phenytoin

21 June 2018

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Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism

31 October 2018

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Binding mode prediction of cytochrome p450 and thymidine kinase protein-ligand complexes by consideration of water and rescoring in automated docking.

31 October 2018

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Lansoprazole enantiomer activates human liver microsomal CYP2C9 catalytic activity in a stereospecific and substrate-specific manner

31 October 2018

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Effector-mediated alteration of substrate orientation in cytochrome P450 2C9.

31 October 2018

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Direct interaction between substrates and endogenous steroids in the active site may change the activity of cytochrome P450 3A4.

31 October 2018

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Generation and Evaluation of a CYP2C9 Heteroactivation Pharmacophore

31 October 2018

1 reference

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A method for determining two substrates binding in the same active site of cytochrome P450BM3: an explanation of high energy omega product formation

31 October 2018

1 reference

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Activation of CYP2C9-mediated metabolism by a series of dapsone analogs: kinetics and structural requirements

31 October 2018

1 reference

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Pyrene.pyrene complexes at the active site of cytochrome P450 3A4: evidence for a multiple substrate binding site

31 October 2018

1 reference

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Polymorphic variants (CYP2C9*3 and CYP2C9*5) and the F114L active site mutation of CYP2C9: effect on atypical kinetic metabolism profiles

31 October 2018

1 reference

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Minimal in vivo activation of CYP2C9-mediated flurbiprofen metabolism by dapsone

31 October 2018

1 reference

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Substrate recognition sites in cytochrome P450 family 2 (CYP2) proteins inferred from comparative analyses of amino acid and coding nucleotide sequences

31 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17311370

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Heteroactivator effects on the coupling and spin state equilibrium of CYP2C9

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17311370

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JM060706P

1 reference

25 July 2017

1 reference

25 July 2017

1 reference