About: On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism

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About: On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism Goto Sponge NotDistinct Permalink

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scientific article published on 01 August 2000

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в серпні 2000 (uk) im August 2000 veröffentlichter wissenschaftlicher Artikel (de) article scientifique publié en août 2000 (fr) artículu científicu espublizáu n'agostu de 2000 (ast) scientific article published on 01 August 2000 (en)
publication date	wds:Q73901603-A46B092F-E436-4FAF-8CAA-986D7FE66B1E
publication date	2000-08-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q73901603-C7BE9C9D-415D-4AAC-945C-A1818BEBDEEB
language of work or name	English
cites work	wds:Q73901603-019A2112-4D1E-463C-A62B-0AE1B45D3426 wds:Q73901603-08B67FDE-9F47-4FF7-A0E8-8177344723AD wds:Q73901603-10EB524B-CE65-4C91-9D58-53DE643AEEED wds:Q73901603-11BFAF62-1E67-4B92-A3C0-3968F0ADDBBB wds:Q73901603-12738917-015F-4E9A-8AE6-8E3F16E5790D wds:Q73901603-1A2D81C8-3428-4C94-BAC0-02447043DE59 wds:Q73901603-1D44DDB2-FBB2-4433-A29C-9725E8426E28 wds:Q73901603-22F3B4CC-07D6-45B2-895A-96A29CDD48DC wds:Q73901603-2E2EA0BA-A103-4B77-A442-87CE069438A6 wds:Q73901603-2F7A48A7-A258-4A83-9E50-42A3DAF44261 wds:Q73901603-302FB5F8-DA57-40F6-BDDC-40C66B48549F wds:Q73901603-359BBA11-4D52-41A9-8EE5-8920E5DA57B6 wds:Q73901603-38A63BBB-DFED-40A2-9AC8-FF9AED6FAB50 wds:Q73901603-39C44AE8-B225-48E2-AE98-1B17EBA0976E wds:Q73901603-4F9355C0-CA06-4325-9215-4BC79F69DAAA wds:Q73901603-5239A8AA-7030-4723-A46A-3EC4038EE1C1 wds:Q73901603-54694846-2372-4FD5-B01B-7CC1ED5C625F wds:Q73901603-55EE67AB-F75F-4EC8-AA1D-5542E7CDAED9 wds:Q73901603-5808138C-CBAA-4C4B-A56E-639DE6B815A9 wds:Q73901603-6A6B49EE-C5CC-429E-90AF-A4B6CE6149C6 wds:Q73901603-6A85E363-0B2F-41FC-90EA-2180D5D1CD2F wds:Q73901603-89522B4A-A98F-4860-91F8-9722E115E10E wds:Q73901603-8B50CE2F-077F-4320-B819-4E21063E9D84 wds:Q73901603-9752B143-278D-434A-8B45-9E5CEB5CFD26 wds:Q73901603-A2B96E96-94FC-42CA-A561-04D670887684 wds:Q73901603-AC18100E-6ED0-47C0-B92A-E55D6D02D643 wds:Q73901603-B36CFB59-AA9D-49A7-B520-BFB99847BC63 wds:Q73901603-B748A9F2-6BC4-45F6-BFD9-57310B2E42A2 wds:Q73901603-B7FC4F74-7FD2-4F7A-842D-46524998B8F2 wds:Q73901603-C81AFAAB-9111-4D5C-9C55-350CDF2C1EE7 wds:Q73901603-C9EE4D5B-B732-4F9C-BB16-1BD9BFC7E7A6 wds:Q73901603-CB8092AB-92E3-43D3-A832-FBFDFF24E7DA wds:Q73901603-CC5E9CC7-61D9-44EF-BF7D-BF09558B0524 wds:Q73901603-D40544DD-F6B0-4194-86D1-13CD8DAABD46 wds:Q73901603-DD16BC69-C4E9-4095-81D9-FF035F8F6F36 wds:Q73901603-E58BCF0A-284E-4AB0-B932-C8CBD65F347C wds:Q73901603-E7CF3EC5-E461-47A8-B3F6-D02B5E64B567 wds:Q73901603-EF5D8117-FDA7-4A2D-A721-B56A0FBBB10F wds:Q73901603-F3403403-BCE1-46E9-987D-7E696E04C703 wds:Q73901603-F4A699B7-4D25-438F-8B0B-224B06633AB9 wds:Q73901603-FBBDA156-2E22-47E8-B831-A141D9B2F93E
cites work	Camphor binding by Pseudomonas putida cytochrome P-450. Kinetics and thermodynamics of the reaction Reconciling the magnitude of the microscopic and macroscopic hydrophobic effects Species differences in metabolism and pharmacokinetics: are we close to an understanding? Molecular modelling of CYP3A4 from an alignment with CYP102: identification of key interactions between putative active site residues and CYP3A-specific chemicals Speculations on the substrate structure-activity relationship (SSAR) of cytochrome P450 enzymes An orphan nuclear receptor activated by pregnanes defines a novel steroid signaling pathway Free energy calculations by computer simulation The structure of the cytochrome p450BM-3 haem domain complexed with the fatty acid substrate, palmitoleic acid P450 superfamily: update on new sequences, gene mapping, accession numbers and nomenclature. Molecular modelling of CYP1A subfamily members based on an alignment with CYP102: rationalization of CYP1A substrate specificity in terms of active site amino acid residues Functional group contributions to drug-receptor interactions. High-resolution crystal structure of cytochrome P450cam Human cytochrome P450 enzymes: a status report summarizing their reactions, substrates, inducers, and inhibitors Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model Hydrophobicity and central nervous system agents: on the principle of minimal hydrophobicity in drug design. Role of human cytochromes P450 in the metabolic activation of chemical carcinogens and toxins Molecular modelling of members of the P4502A subfamily: application to studies of enzyme specificity Octanol‐Water Partition Coefficients of Simple Organic Compounds The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure An improved and updated version of the compact procedure for the evaluation of P450-mediated chemical activation Cytochrome P450 substrate specificities, substrate structural templates and enzyme active site geometries Prediction of distribution coefficient from structure. 1. Estimation method. The P450 catalytic cycle and oxygenation mechanism Molecular modelling of human CYP2C subfamily enzymes CYP2C9 and CYP2C19: rationalization of substrate specificity and site-directed mutagenesis experiments in the CYP2C subfamily Improved Binding of Cytochrome P450cam Substrate Analogues Designed To Fill Extra Space in the Substrate Binding Pocket† Molecular modelling of cytochrome P4502D6 (CYP2D6) based on an alignment with CYP102: structural studies on specific CYP2D6 substrate metabolism Toward an estimation of binding constants in aqueous solution: studies of associations of vancomycin group antibiotics The CYP2 family: models, mutants and interactions Evidence that aspartic acid 301 is a critical substrate-contact residue in the active site of cytochrome P450 2D6. Automatic log P estimation based on combined additive modeling methods. Corneal Penetration Behavior of β-Blocking Agents I: Physicochemical Factors Molecular modelling of mammalian CYP2B isoforms and their interaction with substrates, inhibitors and redox partners Molecular mechanics calculations of proteins. Comparison of different energy minimization strategies. Prediction of distribution coefficient from structure. 2. Validation of Prolog D, an expert system. Theoretical study of solvent effects on the conformational stability of acetylcholine An approach to rapid estimation of relative binding affinities of enzyme inhibitors: application to peptidomimetic inhibitors of the human immunodeficiency virus type 1 protease Structural determinants of cytochrome P450 substrate specificity, binding affinity and catalytic rate Molecular modelling of CYP2E1 enzymes from rat, mouse and man: an explanation for species differences in butadiene metabolism and potential carcinogenicity, and rationalization of CYP2E substrate specificity Physical parameters for brian uptake: optimizing log P, log D and pKa of T H A Molecular modelling and quantitative structure-activity relationship studies on the interaction of omeprazole with cytochrome P450 isozymes Quantum mechanical model assembly calculations of energetics of binding of ligands to protein receptors
author name string	wds:Q73901603-45E628D6-6038-465D-BD52-FB7B079631C8
author name string	D F Lewis
rdfs:label	On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism (en) On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism (nl)
skos:prefLabel	On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism (en) On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism (nl)
name	On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics: towards the prediction of human p450 substrate specificity and metabolism (en)

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