(Q36716929)

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Methods for predicting human drug metabolism

scientific article published on January 2007

Methods for Predicting Human Drug Metabolism

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Europe PubMed Central

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15 August 2017

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Europe PubMed Central

Methods for predicting human drug metabolism (English)

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Europe PubMed Central

PubMed publication ID

15 August 2017

Methods for Predicting Human Drug Metabolism (English)

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Sean Ekins

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Europe PubMed Central

PubMed publication ID

15 August 2017

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Larry J Jolivette

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Europe PubMed Central

PubMed publication ID

15 August 2017

Larry J. Jolivette

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publication date

1 January 2007

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Europe PubMed Central

PubMed publication ID

15 August 2017

2007

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Advances in Clinical Chemistry

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Europe PubMed Central

PubMed publication ID

15 August 2017

43

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Europe PubMed Central

PubMed publication ID

15 August 2017

131-176

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Europe PubMed Central

PubMed publication ID

15 August 2017

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1 reference

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7 January 2021

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7 January 2021

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7 January 2021

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7 January 2021

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7 January 2021

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1 reference

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7 January 2021

based on heuristic

inferred from DOI database lookup

Pharmacophore and quantitative structure activity relationship modelling of UDP-glucuronosyltransferase 1A1 (UGT1A1) substrates

1 reference

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7 January 2021

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7 January 2021

based on heuristic

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1 reference

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7 January 2021

based on heuristic

inferred from DOI database lookup

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1 reference

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7 January 2021

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based on heuristic

inferred from DOI database lookup

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

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Analysis of human cytochrome P450 2C8 substrate specificity using a substrate pharmacophore and site-directed mutants

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

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

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

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

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A preliminary 3D model for cytochrome P450 2D6 constructed by homology model building

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

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

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular modelling of CYP2B6, the human CYP2B isoform, by homology with the substrate-bound CYP102 crystal structure: evaluation of CYP2B6 substrate characteristics, the cytochrome b5 binding site and comparisons with CYP2B1 and CYP2B4

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Use of homology modeling in conjunction with site-directed mutagenesis for analysis of structure-function relationships of mammalian cytochromes P450.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular modeling of cytochrome P450 3A4

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular modeling of mammalian cytochromes P450: application to study enzyme function

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular modelling of cytochrome P4502D6 (CYP2D6) based on an alignment with CYP102: structural studies on specific CYP2D6 substrate metabolism

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular modelling of CYP3A4 from an alignment with CYP102: identification of key interactions between putative active site residues and CYP3A-specific chemicals

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular modelling of human CYP2C subfamily enzymes CYP2C9 and CYP2C19: rationalization of substrate specificity and site-directed mutagenesis experiments in the CYP2C subfamily

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Three-dimensional models of human and other mammalian microsomal P450s constructed from an alignment with P450102 (P450bm3)

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

The metabolism of tamoxifen by human cytochromes P450 is rationalized by molecular modelling of the enzyme-substrate interactions: potential importance to its proposed anti-carcinogenic/carcinogenic actions

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Extension of a predictive substrate model for human cytochrome P4502D6

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A refined substrate model for human cytochrome P450 2D6

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Development of a combined protein and pharmacophore model for cytochrome P450 2C9.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Novel approach to predicting P450-mediated drug metabolism: development of a combined protein and pharmacophore model for CYP2D6

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A novel approach to predicting P450 mediated drug metabolism. CYP2D6 catalyzed N-dealkylation reactions and qualitative metabolite predictions using a combined protein and pharmacophore model for CYP2D6

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Comparative studies on the cytochrome p450-associated metabolism and interaction potential of selegiline between human liver-derived in vitro systems

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Metabolism of 2,5-bis(trifluoromethyl)-7-benzyloxy-4-trifluoromethylcoumarin by human hepatic CYP isoforms: evidence for selectivity towards CYP3A4.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Competitive CYP2C9 inhibitors: enzyme inhibition studies, protein homology modeling, and three-dimensional quantitative structure-activity relationship analysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Regioselectivity of CYP2B6: homology modeling, molecular dynamics simulation, docking

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Metabolic regio- and stereoselectivity of cytochrome P450 2D6 towards 3,4-methylenedioxy-N-alkylamphetamines: in silico predictions and experimental validation.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Validation of Model of Cytochrome P450 2D6: An in Silico Tool for Predicting Metabolism and Inhibition

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

In silico and in vitro screening for inhibition of cytochrome P450 CYP3A4 by comedications commonly used by patients with cancer.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structural diversity of human xenobiotic-metabolizing cytochrome P450 monooxygenases

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Comparative modelling of cytochromes P450.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

An orphan nuclear receptor activated by pregnanes defines a novel steroid signaling pathway

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Rational discovery of novel nuclear hormone receptor antagonists

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

ADME-AP: a database of ADME associated proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A Human Drug Metabolism Database: Potential Roles in the Quantitative Predictions of Drug Metabolism and Metabolism-Related Drug-Drug Interactions

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

New methods in predictive metabolism

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Predicting Biotransformation Potential from Molecular Structure

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A new statistical approach to predicting aromatic hydroxylation sites. Comparison with model-based approaches

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

DrugBank: a comprehensive resource for in silico drug discovery and exploration

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Diversity measures for enhancing ADME admissibility of combinatorial libraries

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

META. 1. A program for the evaluation of metabolic transformation of chemicals.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

META. 2. A dictionary model of mammalian xenobiotic metabolism.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

META. 3. A genetic algorithm for metabolic transform priorities optimization.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Computer systems for the prediction of xenobiotic metabolism

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Using Absolute and Relative Reasoning in the Prediction of the Potential Metabolism of Xenobiotics

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Encoding microbial metabolic logic: predicting biodegradation

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Microbial pathway prediction: a functional group approach

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

The University of Minnesota Biocatalysis/Biodegradation Database: post-genomic data mining

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

The University of Minnesota Biocatalysis/Biodegradation Database: the first decade

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A systematic approach to simulating metabolism in computational toxicology. I. The TIMES heuristic modelling framework

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

In silico techniques for the study and prediction of xenobiotic metabolism: a review

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Pharmacophore, drug metabolism, and pharmacokinetics models on non-peptide AT1, AT2, and AT1/AT2 angiotensin II receptor antagonists

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A combined approach to drug metabolism and toxicity assessment

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A review of the common properties of drugs with idiosyncratic hepatotoxicity and the "multiple determinant hypothesis" for the manifestation of idiosyncratic drug toxicity.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Idiosyncratic toxicity: the role of toxicophores and bioactivation

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Screening for the potential of a drug candidate to cause idiosyncratic drug reactions

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Techniques: application of systems biology to absorption, distribution, metabolism, excretion and toxicity

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Enhanced Detoxication Due to Distributive Catalysis and Toxic Thresholds: A Kinetic Analysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Systems-ADME/Tox: resources and network approaches

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

The design and fabrication of three-chamber microscale cell culture analog devices with integrated dissolved oxygen sensors

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Similarity-based approaches to virtual screening.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

P450 in the rat and man: methods of investigation, substrate specificities and relevance to cancer

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Metabolizing enzyme toxicology assay chip (MetaChip) for high-throughput microscale toxicity analyses

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Shrinking the biologic world--nanobiotechnologies for toxicology

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Hepatocyte behavior within three-dimensional porous alginate scaffolds

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Liver tissue engineering within alginate scaffolds: effects of cell-seeding density on hepatocyte viability, morphology, and function.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Functional behavior of primary rat liver cells in a three-dimensional perfused microarray bioreactor

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A microfabricated array bioreactor for perfused 3D liver culture

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Development of a microscale cell culture analog to probe naphthalene toxicity

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Incorporation of 3T3-L1 cells to mimic bioaccumulation in a microscale cell culture analog device for toxicity studies

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A novel in vitro system, the integrated discrete multiple organ cell culture (IdMOC) system, for the evaluation of human drug toxicity

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Microfluidic PDMS (polydimethylsiloxane) bioreactor for large-scale culture of hepatocytes

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Advanced electrochemical sensors for cell cancer monitoring.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Less is more: the human microdosing concept

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Evaluation of microdosing strategies for studies in preclinical drug development: demonstration of linear pharmacokinetics in dogs of a nucleoside analog over a 50-fold dose range

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

The application of accelerator mass spectrometry to absolute bioavailability studies in humans: simultaneous administration of an intravenous microdose of 14C-nelfinavir mesylate solution and oral nelfinavir to healthy volunteers

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Alice Huxley and Nick Miles of Speedel on the company's pipeline and future plans. Interview by Christopher Watson and Stephen Carney

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Examination of 209 drugs for inhibition of cytochrome P450 2C8

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Intelligent software for laboratory automation

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Towards a new age of virtual ADME/TOX and multidimensional drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Decoy receptor 3 (DcR3) is proteolytically processed to a metabolic fragment having differential activities against Fas ligand and LIGHT.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Pharmacokinetics, metabolic stability, and subcutaneous bioavailability of a genetically engineered analog of DcR3, FLINT [DcR3(R218Q)], in cynomolgus monkeys and mice

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Proteolytic cleavage of human growth hormone (hGH) by rat tissues in vitro: influence on the kinetics of exogenously administered hGH

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Proteolysis of human growth hormone by rat thyroid gland in vitro: application of electrospray mass spectrometry and N-terminal sequencing to elucidate a metabolic pathway

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Reengineering the pharmaceutical industry by crash-testing molecules

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Regioselectivity and quantitative structure-activity relationships for the conjugation of a series of fluoronitrobenzenes by purified glutathione S-transferase enzymes from rat and man

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Inhibition of monoamine oxidase by pirlindole analogues: 3D-QSAR and CoMFA analysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structure-activity relationships in the oxidation of para-substituted benzylamine analogues by recombinant human liver monoamine oxidase A

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Progress in predicting human ADME parameters in silico

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Development of a large-scale chemogenomics database to improve drug candidate selection and to understand mechanisms of chemical toxicity and action

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structure and mechanism of monoamine oxidase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Crystal structure of human monoamine oxidase B, a drug target enzyme monotopically inserted into the mitochondrial outer membrane

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Crystal structures of monoamine oxidase B in complex with four inhibitors of the N-propargylaminoindan class

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Insights into the mode of inhibition of human mitochondrial monoamine oxidase B from high-resolution crystal structures

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Linking CoMFA and protein homology models of enzyme-inhibitor interactions: an application to non-steroidal aromatase inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

New aromatase inhibitors. Synthesis and biological activity of aryl-substituted pyrrolizine and indolizine derivatives

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A detailed molecular model for human aromatase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular modelling of steroidogenic cytochromes P450 from families CYP11, CYP17, CYP19 and CYP21 based on the CYP102 crystal structure

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

P450 inhibitors of use in medical treatment: focus on mechanisms of action

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structure-metabolism relationships: steric effects and the enzymatic hydrolysis of carboxylic esters.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Discovery of novel selective inhibitors of human intestinal carboxylesterase for the amelioration of irinotecan-induced diarrhea: synthesis, quantitative structure-activity relationship analysis, and biological activity

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Physicochemical and biological data for the development of predictive organophosphorus pesticide QSARs and PBPK/PD models for human risk assessment

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

3-D QSAR analysis of inhibition of murine soluble epoxide hydrolase (MsEH) by benzoylureas, arylureas, and their analogues.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Crystal structure of the human acyl protein thioesterase I from a single X-ray data set to 1.5 A

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structural basis of heroin and cocaine metabolism by a promiscuous human drug-processing enzyme

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Human carboxylesterase 1: from drug metabolism to drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Crystal structure of human carboxylesterase 1 complexed with the Alzheimer's drug tacrine: from binding promiscuity to selective inhibition

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structural and mutational studies of organophosphorus hydrolase reveal a cryptic and functional allosteric-binding site

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

QSAR and classification of murine and human soluble epoxide hydrolase inhibition by urea-like compounds

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Electrophysiological safety of DW-286a, a novel fluoroquinolone antibiotic agent

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular modelling of human microsomal epoxide hydrolase (EH) by homology with a fungal (Aspergillus niger) EH crystal structure of 1.8 A resolution: structure-activity relationships in epoxides inhibiting EH activity

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A quantitative structure-activity relationship and molecular graphics analysis of hydrophobic effects in the interactions of inhibitors with alcohol dehydrogenase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structures of three human beta alcohol dehydrogenase variants. Correlations with their functional differences

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

X-ray structure of human beta3beta3 alcohol dehydrogenase. The contribution of ionic interactions to coenzyme binding

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

X-ray structure of human class IV sigmasigma alcohol dehydrogenase. Structural basis for substrate specificity

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structure of human chi chi alcohol dehydrogenase: a glutathione-dependent formaldehyde dehydrogenase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Three-dimensional structures of human alcohol dehydrogenase isoenzymes reveal the molecular basis for their functional diversity.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Three-dimensional structures of the three human class I alcohol dehydrogenases

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structure of three class I human alcohol dehydrogenases complexed with isoenzyme specific formamide inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

CoMFA modeling of human catechol O-methyltransferase enzyme kinetics

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Conjugation of catechols by recombinant human sulfotransferases, UDP-glucuronosyltransferases, and soluble catechol O-methyltransferase: structure-conjugation relationships and predictive models.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Crystal structure of human cholesterol sulfotransferase (SULT2B1b) in the presence of pregnenolone and 3'-phosphoadenosine 5'-phosphate. Rationale for specificity differences between prototypical SULT2A1 and the SULT2BG1 isoforms

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structure-function modeling of the interactions of N-alkyl-N-hydroxyanilines with rat hepatic aryl sulfotransferase IV.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Crystal structure of human catecholamine sulfotransferase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Molecular mechanisms controlling the rate and specificity of catechol O-methylation by human soluble catechol O-methyltransferase

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Inhibition of human liver catechol-O-methyltransferase by tea catechins and their metabolites: structure-activity relationship and molecular-modeling studies

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Thiopurine methyltransferase: structure-activity relationships for benzoic acid inhibitors and thiophenol substrates.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Design, synthesis and in vitro evaluation of novel benzo[b]thiophene derivatives as serotonin N-acetyltransferase (AANAT) inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

3D model of human arylamine N-acetyltransferase 2: structural basis of the slow acetylator phenotype of the R64Q variant and analysis of the active-site loop

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Homology modelling and structural analysis of human arylamine N-acetyltransferase NAT1: evidence for the conservation of a cysteine protease catalytic domain and an active-site loop

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Crystal structure of human glutathione S-transferase A3-3 and mechanistic implications for its high steroid isomerase activity

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

1.3-A resolution structure of human glutathione S-transferase with S-hexyl glutathione bound reveals possible extended ligandin binding site

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

The glutathione conjugate of ethacrynic acid can bind to human pi class glutathione transferase P1-1 in two different modes

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Structure and Function of the Xenobiotic Substrate-Binding Site and Location of a Potential Non-Substrate-Binding Site in a Class π Glutathione S-Transferase,

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

A novel method for visualizing nuclear hormone receptor networks relevant to drug metabolism

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Computational prediction of human drug metabolism

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

PharmGKB update: II. CYP3A5, cytochrome P450, family 3, subfamily A, polypeptide 5.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-2423%2806%2943005-5

7 January 2021

based on heuristic

inferred from DOI database lookup

Identifiers

10.1016/S0065-2423(06)43005-5

0 references

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

15 August 2017

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