(Q46106366)

19 December 2017

title

CypScore: Quantitative prediction of reactivity toward cytochromes P450 based on semiempirical molecular orbital theory (English)

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19 December 2017

author

Timothy Clark

6

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19 December 2017

Andreas H Göller

7

object named as

Andreas H Göller

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author name string

Matthias Hennemann

1

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19 December 2017

Arno Friedl

2

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19 December 2017

Mario Lobell

3

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19 December 2017

Jörg Keldenich

4

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19 December 2017

Alexander Hillisch

5

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19 December 2017

Andreas H Göller

7

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19 December 2017

publication date

1 April 2009

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19 December 2017

published in

ChemMedChem

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19 December 2017

volume

4

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19 December 2017

issue

4

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19 December 2017

page(s)

657-669

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19 December 2017

Rapid assessment of drug metabolism in the drug discovery process

cites work

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Empirical regioselectivity models for human cytochromes P450 3A4, 2D6, and 2C9.

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7 January 2021

Role of the heme active site and protein environment in structure, spectra, and function of the cytochrome p450s

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7 January 2021

Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.

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Mechanism of oxidation reactions catalyzed by cytochrome p450 enzymes.

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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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Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

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Detection of a new N-oxidized metabolite of flutamide, N-[4-nitro-3-(trifluoromethyl)phenyl]hydroxylamine, in human liver microsomes and urine of prostate cancer patients

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Nonredundant antioxidant defense by multiple two-cysteine peroxiredoxins in human prostate cancer cells

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Local molecular properties and their use in predicting reactivity

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7 January 2021

Identifiers

DOI

10.1002/CMDC.200800384

1 reference

19 December 2017

1 reference

19 December 2017