Methods for predicting human drug metabolism (Q36716929)

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

7 January 2021

Drug-drug interactions related to hospital admissions in older adults: a prospective study of 1000 patients

1 reference

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

7 January 2021

1 reference

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

7 January 2021

Suboptimal prescribing in elderly outpatients: potentially harmful drug-drug and drug-disease combinations

1 reference

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

7 January 2021

The association of inappropriate drug use with hospitalisation and mortality: a population-based study of the very old

1 reference

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

7 January 2021

Seeing through the mist: abundance versus percentage. Commentary on metabolites in safety testing

1 reference

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

7 January 2021

Drug-drug interactions for UDP-glucuronosyltransferase substrates: a pharmacokinetic explanation for typically observed low exposure (AUCi/AUC) ratios

1 reference

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

7 January 2021

Present and future in vitro approaches for drug metabolism.

1 reference

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

7 January 2021

Prediction of drug metabolism and interactions on the basis of in vitro investigations.

1 reference

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

7 January 2021

Predicting in vivo drug interactions from in vitro drug discovery data

1 reference

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

7 January 2021

The use of in vitro methods to predict in vivo pharmacokinetics and drug interactions

1 reference

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7 January 2021

Drug Metabolism and Drug Interactions: Application and Clinical Value of In Vitro Models

1 reference

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

7 January 2021

Inhibition-based metabolic drug-drug interactions: predictions from in vitro data

1 reference

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

7 January 2021

Metabolism profiling, and cytochrome P450 inhibition & induction in drug discovery

1 reference

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

7 January 2021

High-throughput screening in drug metabolism and pharmacokinetic support of drug discovery

1 reference

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7 January 2021

Reaction phenotyping in drug discovery: moving forward with confidence?

1 reference

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7 January 2021

The conduct of in vitro and in vivo drug-drug interaction studies: a Pharmaceutical Research and Manufacturers of America (PhRMA) perspective

1 reference

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7 January 2021

Making better drugs: Decision gates in non-clinical drug development

1 reference

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7 January 2021

In vitro high throughput screening of compounds for favorable metabolic properties in drug discovery

1 reference

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7 January 2021

Early ADME in support of drug discovery: the role of metabolic stability studies

1 reference

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7 January 2021

High-throughput screening for stability and inhibitory activity of compounds toward cytochrome P450-mediated metabolism

1 reference

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

7 January 2021

Optimization of a higher throughput microsomal stability screening assay for profiling drug discovery candidates

1 reference

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

7 January 2021

Advances in drug metabolism screening

1 reference

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

7 January 2021

A high-capacity LC/MS system for the bioanalysis of samples generated from plate-based metabolic screening

1 reference

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

7 January 2021

Simple strategies for reducing sample loads in in vitro metabolic stability high-throughput screening experiments: a comparison between traditional, two-time-point and pooled sample analyses

1 reference

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

7 January 2021

Automated quantitative and qualitative analysis of metabolic stability: a process for compound selection during drug discovery

1 reference

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

7 January 2021

Effect of albumin on phenytoin and tolbutamide metabolism in human liver microsomes: an impact more than protein binding

1 reference

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

7 January 2021

Cytochrome P450 inhibition using recombinant proteins and mass spectrometry/multiple reaction monitoring technology in a cassette incubation

1 reference

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

7 January 2021

High-throughput cytochrome P450 inhibition screening via cassette probe-dosing strategy. IV. Validation of a direct injection on-line guard cartridge extraction/tandem mass spectrometry method for simultaneous CYP3A4, 2D6 and 2E1 inhibition assessme

1 reference

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

7 January 2021

Highly miniaturized formats for in vitro drug metabolism assays using vivid fluorescent substrates and recombinant human cytochrome P450 enzymes

1 reference

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

7 January 2021

In vitro-in vivo correlations for drugs eliminated by glucuronidation: investigations with the model substrate zidovudine

1 reference

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

7 January 2021

Microsomal prediction of in vivo clearance of CYP2C9 substrates in humans

1 reference

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

7 January 2021

Quantitative prediction of in vivo drug clearance and drug interactions from in vitro data on metabolism, together with binding and transport

1 reference

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

7 January 2021

Prediction of in vivo drug metabolism in the human liver from in vitro metabolism data

1 reference

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

7 January 2021

Substrate depletion approach for determining in vitro metabolic clearance: time dependencies in hepatocyte and microsomal incubations

1 reference

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

7 January 2021

An evaluation of the in vitro metabolism data for predicting the clearance and drug-drug interaction potential of CYP2C9 substrates

1 reference

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

7 January 2021

Utility of metabolic stability screening: comparison of in vitro and in vivo clearance

1 reference

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

7 January 2021

Prediction of clearance in humans from in vitro human liver microsomes and allometric scaling. A comparative study of the two approaches

1 reference

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

7 January 2021

Investigation of the utility of published in vitro intrinsic clearance data for prediction of in vivo clearance

1 reference

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

7 January 2021

Prediction of in vivo hepatic clearance from in vitro data using cryopreserved human hepatocytes

1 reference

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

7 January 2021

Evaluation of fresh and cryopreserved hepatocytes as in vitro drug metabolism tools for the prediction of metabolic clearance

1 reference

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

7 January 2021

Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure

1 reference

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

7 January 2021

Predicting undesirable drug interactions with promiscuous proteins in silico

1 reference

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

7 January 2021

Bridging cheminformatic metabolite prediction and tandem mass spectrometry

1 reference

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

7 January 2021

Integration of knowledge-based metabolic predictions with liquid chromatography data-dependent tandem mass spectrometry for drug metabolism studies: application to studies on the biotransformation of indinavir

1 reference

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

7 January 2021

Strategies for dealing with metabolite elucidation in drug discovery and development

1 reference

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

7 January 2021

METAPRINT: a metabolic fingerprint. Application to cassette design for high-throughput ADME screening

1 reference

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

7 January 2021

Cytochrome p450 in silico: an integrative modeling approach.

1 reference

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7 January 2021

THE USE OF SUBSTITUENT CONSTANTS AND REGRESSION ANALYSIS IN THE STUDY OF ENZYMATIC REACTION MECHANISMS

1 reference

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

7 January 2021

The Use of Substituent Constants in the Correlation of Demethylation Rates

1 reference

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

7 January 2021

The QSAR paradigm in the design of less toxic molecules

1 reference

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

7 January 2021

Structure--activity correlations in the metabolism of drugs.

1 reference

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

7 January 2021

Quantitative structure-activity relationships of cytochrome P-450.

1 reference

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

7 January 2021

Quantitative Structure-Activity Relationships in Substrates, Inducers, and Inhibitors of Cytochrome P4501 (CYP1)

1 reference

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

7 January 2021

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

1 reference

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

7 January 2021

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

1 reference

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

7 January 2021

Structural determinants of cytochrome P450 substrate specificity, binding affinity and catalytic rate

1 reference

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

7 January 2021

Compound lipophilicity for substrate binding to human P450s in drug metabolism

1 reference

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

7 January 2021

Three-dimensional quantitative structure-activity relationship analysis of cytochromes p450: effect of incorporating higher-affinity ligands and potential new applications

1 reference

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

7 January 2021

Human UDP-glucuronosyltransferases: metabolism, expression, and disease

1 reference

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

7 January 2021

Quantitative structure activity relationships for the glucuronidation of simple phenols by expressed human UGT1A6 and UGT1A9.

1 reference

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

7 January 2021

Rapid Prediction of Chemical Metabolism by Human UDP-glucuronosyltransferase Isoforms Using Quantum Chemical Descriptors Derived with the Electronegativity Equalization Method

1 reference

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

7 January 2021

X-ray crystal structure of human dopamine sulfotransferase, SULT1A3. Molecular modeling and quantitative structure-activity relationship analysis demonstrate a molecular basis for sulfotransferase substrate specificity

1 reference

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

7 January 2021

Structure of a human carcinogen-converting enzyme, SULT1A1. Structural and kinetic implications of substrate inhibition

1 reference

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

7 January 2021

Analysis of a large structure/biological activity data set using recursive partitioning

1 reference

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

7 January 2021

In silico approaches to predicting drug metabolism, toxicology and beyond

1 reference

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

7 January 2021

Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates

1 reference

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

7 January 2021

Prediction of in vitro metabolic stability of calcitriol analogs by QSAR.

1 reference

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

7 January 2021

Kohonen maps for prediction of binding to human cytochrome P450 3A4.

1 reference

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

7 January 2021

Quantitative structure-metabolism relationship modeling of metabolic N-dealkylation reaction rates

1 reference

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

7 January 2021

Modeling of human cytochrome p450-mediated drug metabolism using unsupervised machine learning approach

1 reference

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

7 January 2021

Early prediction of drug metabolism and toxicity: systems biology approach and modeling

1 reference

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

7 January 2021

Chemical proteomic tool for ligand mapping of CYP antitargets: an NMR-compatible 3D QSAR descriptor in the Heme-Based Coordinate System.

1 reference

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

7 January 2021

Examination of purported probes of human CYP2B6.

1 reference

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

7 January 2021

Three-Dimensional Quantitative Structure Activity Relationship for Cyp2d6 Substrates

1 reference

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

7 January 2021

In vitro and pharmacophore insights into CYP3A enzymes

1 reference

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

7 January 2021

Predictive value of comparative molecular field analysis modelling of naphthalene inhibition of human CYP2A6 and mouse CYP2A5 enzymes

1 reference

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

7 January 2021

The human CYP3A subfamily: practical considerations

1 reference

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

7 January 2021

The role of CYP2B6 in human xenobiotic metabolism

1 reference

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

7 January 2021

Generation and validation of rapid computational filters for cyp2d6 and cyp3a4.

1 reference

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

7 January 2021

A new class of CYP2C9 inhibitors: probing 2C9 specificity with high-affinity benzbromarone derivatives

1 reference

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

7 January 2021

Quantitative binding models for CYP2C9 based on benzbromarone analogues

1 reference

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

7 January 2021

Charge and substituent effects on affinity and metabolism of benzbromarone-based CYP2C19 inhibitors

1 reference

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

7 January 2021

Evaluation of atypical cytochrome P450 kinetics with two-substrate models: evidence that multiple substrates can simultaneously bind to cytochrome P450 active sites

1 reference

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

7 January 2021

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

1 reference

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

7 January 2021

Udp-glucuronosyltransferase 2b7 is the major enzyme responsible for gemcabene glucuronidation in human liver microsomes

1 reference

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

7 January 2021

Predictive models of CYP3A4 Heteroactivation: in vitro-in vivo scaling and pharmacophore modeling

1 reference

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

7 January 2021

Generation and Evaluation of a CYP2C9 Heteroactivation Pharmacophore

1 reference

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

7 January 2021

Pharmacophore and quantitative structure-activity relationship modeling: complementary approaches for the rationalization and prediction of UDP-glucuronosyltransferase 1A4 substrate selectivity.

1 reference

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

7 January 2021

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

1 reference

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

7 January 2021

In silico insights: chemical and structural characteristics associated with uridine diphosphate-glucuronosyltransferase substrate selectivity

1 reference

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

7 January 2021

Multiple pharmacophores for the investigation of human UDP-glucuronosyltransferase isoform substrate selectivity

1 reference

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

7 January 2021

Predicting human drug glucuronidation parameters: application of in vitro and in silico modeling approaches.

1 reference

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

7 January 2021

Combined three-dimensional quantitative structure-activity relationship analysis of cytochrome P450 2B6 substrates and protein homology modeling

1 reference

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

7 January 2021

Computational models for cytochrome P450: a predictive electronic model for aromatic oxidation and hydrogen atom abstraction

1 reference

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

7 January 2021

A model for predicting likely sites of CYP3A4-mediated metabolism on drug-like molecules

1 reference

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

7 January 2021

Designing safer chemicals: predicting the rates of metabolism of halogenated alkanes

1 reference

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

7 January 2021

(Q) SAR study on the metabolic stability of steroidal androgens

1 reference

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

7 January 2021

Engineering microsomal cytochrome P450 2C5 to be a soluble, monomeric enzyme. Mutations that alter aggregation, phospholipid dependence of catalysis, and membrane binding

1 reference

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

7 January 2021

Crystal structure of human cytochrome P450 2C9 with bound warfarin

1 reference

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

7 January 2021

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

1 reference

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

7 January 2021

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

1 reference

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

7 January 2021

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

1 reference

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

7 January 2021

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

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

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

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

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

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

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

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

Molecular modeling of cytochrome P450 3A4

1 reference

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

7 January 2021

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

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7 January 2021

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

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7 January 2021

Structural diversity of human xenobiotic-metabolizing cytochrome P450 monooxygenases

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7 January 2021

Comparative modelling of cytochromes P450.

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7 January 2021

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

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7 January 2021

Rational discovery of novel nuclear hormone receptor antagonists

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7 January 2021

ADME-AP: a database of ADME associated proteins

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7 January 2021

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

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7 January 2021

New methods in predictive metabolism

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7 January 2021

Predicting Biotransformation Potential from Molecular Structure

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7 January 2021

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

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7 January 2021

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

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7 January 2021

Diversity measures for enhancing ADME admissibility of combinatorial libraries

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7 January 2021

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

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7 January 2021

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

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7 January 2021

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

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7 January 2021

Computer systems for the prediction of xenobiotic metabolism

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7 January 2021

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

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7 January 2021

Encoding microbial metabolic logic: predicting biodegradation

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7 January 2021

Microbial pathway prediction: a functional group approach

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7 January 2021

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

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7 January 2021

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

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7 January 2021

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

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

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7 January 2021

A combined approach to drug metabolism and toxicity assessment

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7 January 2021

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

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7 January 2021

Idiosyncratic toxicity: the role of toxicophores and bioactivation

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7 January 2021

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

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7 January 2021

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

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7 January 2021

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

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7 January 2021

Systems-ADME/Tox: resources and network approaches

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

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7 January 2021

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

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7 January 2021

Shrinking the biologic world--nanobiotechnologies for toxicology

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7 January 2021

Hepatocyte behavior within three-dimensional porous alginate scaffolds

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

A microfabricated array bioreactor for perfused 3D liver culture

1 reference

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7 January 2021

Development of a microscale cell culture analog to probe naphthalene toxicity

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

Advanced electrochemical sensors for cell cancer monitoring.

1 reference

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

7 January 2021

Less is more: the human microdosing concept

1 reference

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7 January 2021

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

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

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7 January 2021

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

1 reference

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7 January 2021

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

Intelligent software for laboratory automation

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

7 January 2021

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

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

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

1 reference

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7 January 2021

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

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

Reengineering the pharmaceutical industry by crash-testing molecules

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

7 January 2021

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

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

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

Progress in predicting human ADME parameters in silico

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

7 January 2021

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

Structure and mechanism of monoamine oxidase

1 reference

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

7 January 2021

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

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

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

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

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

A detailed molecular model for human aromatase

1 reference

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

7 January 2021

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

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

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

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

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

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

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

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

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

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

7 January 2021

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

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

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

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

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

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

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

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

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

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

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7 January 2021

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

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7 January 2021

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

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

7 January 2021

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

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

7 January 2021

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

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

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

7 January 2021

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

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

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

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

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

Crystal structure of human catecholamine sulfotransferase

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

7 January 2021

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

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

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

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

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

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

7 January 2021

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

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

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7 January 2021

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

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

7 January 2021

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

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

7 January 2021

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

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

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

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

7 January 2021

Computational prediction of human drug metabolism

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

7 January 2021

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