Human P450s involved in drug metabolism and the use of structural modelling for understanding substrate selectivity and binding affinity (Q37514128)

20 August 2017

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title

Human P450s involved in drug metabolism and the use of structural modelling for understanding substrate selectivity and binding affinity (English)

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20 August 2017

D F V Lewis

1

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PubMed ID

19514836

20 August 2017

Y Ito

series ordinal

2

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PubMed ID

19514836

20 August 2017

language of work or name

English

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publication date

1 August 2009

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20 August 2017

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20 August 2017

39

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20 August 2017

8

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20 August 2017

625-635

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A unified theory of enzyme kinetics based upon the systematic analysis of the variations of k(cat), K(M), and k(cat)/K(M) and the relevant DeltaG(0 not equal) values-possible implications in chemotherapy and biotechnology.

20 August 2017

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In silico methods for predicting ligand binding determinants of cytochromes P450.

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Analysis of mammalian cytochrome P450 structure and function by site-directed mutagenesis

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Structural basis for ligand promiscuity in cytochrome P450 3A4.

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Cytochrome P450 enzymes in drug metabolism and chemical toxicology: An introduction.

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Cytochrome p450 and chemical toxicology

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Pivotal role of water in the mechanism of P450BM-3

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Functional interaction of cytochrome P450 with its redox partners: a critical assessment and update of the topology of predicted contact regions

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Cytochromes P450 in the bioactivation of chemicals

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Detection, delineation, measurement and display of cavities in macromolecular structures

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Structural characteristics of human P450s involved in drug metabolism: QSARs and lipophilicity profiles

21 January 2018

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Molecular modeling of human cytochrome P450-substrate interactions

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Homology modelling of human CYP2 family enzymes based on the CYP2C5 crystal structure

21 January 2018

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Structural models for cytochrome P450-mediated catalysis.

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P450 structures and oxidative metabolism of xenobiotics

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Essential requirements for substrate binding affinity and selectivity toward human CYP2 family enzymes

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On the Estimation of Binding Affinity (&#916;Gbind) for Human P450 Substrates (Based on Km and K&#916; Values)

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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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57 varieties: the human cytochromes P450.

21 January 2018

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Quantitative structure-activity relationships (QSARs) for substrates of human cytochromes P450 CYP2 family enzymes.

21 January 2018

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Hydrogen bonding in human p450-substrate interactions: a major contribution to binding affinity.

21 January 2018

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Factors influencing rates and clearance in P450-mediated reactions: QSARs for substrates of the xenobiotic-metabolizing hepatic microsomal P450s.

21 January 2018

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Substrate SARs in human P450s

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Baseline lipophilicity relationships in human cytochromes P450 associated with drug metabolism

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Molecular modelling of human CYP1B1 substrate interactions and investigation of allelic variant effects on metabolism.

21 January 2018

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Structural modelling of the human drug-metabolizing cytochromes P450.

21 January 2018

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Compound lipophilicity for substrate binding to human P450s in drug metabolism

21 January 2018

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Structure-activity relationship for human cytochrome P450 substrates and inhibitors

21 January 2018

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Sulfaphenazole derivatives as tools for comparing cytochrome P450 2C5 and human cytochromes P450 2Cs: identification of a new high affinity substrate common to those enzymes.

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Toxicological significance of mechanism-based inactivation of cytochrome p450 enzymes by drugs

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Summary of information on human CYP enzymes: human P450 metabolism data

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Crystal structure of human cytochrome P450 2D6

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

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The catalytic pathway of cytochrome p450cam at atomic resolution

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

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An open conformation of mammalian cytochrome P450 2B4 at 1.6-Å resolution

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Structure of the human lung cytochrome P450 2A13

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Structural analysis of CYP2R1 in complex with vitamin D3

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Structure of a substrate complex of mammalian cytochrome P450 2C5 at 2.3 A resolution: evidence for multiple substrate binding modes

21 January 2018

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Structure of mammalian cytochrome P450 2C5 complexed with diclofenac at 2.1 A resolution: evidence for an induced fit model of substrate binding

21 January 2018

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

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

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Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone

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Crystal structure of human cytochrome P450 2C9 with bound warfarin

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

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The structure of human microsomal cytochrome P450 3A4 determined by X-ray crystallography to 2.05-A resolution

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Structure of microsomal cytochrome P450 2B4 complexed with the antifungal drug bifonazole: insight into P450 conformational plasticity and membrane interaction.

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Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

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10.1080/00498250903000255

21 January 2018

Identifiers

DOI

1 reference

20 August 2017

1 reference

PubMed ID

19514836