A cell-based molecular transport simulator for pharmacokinetic prediction and cheminformatic exploration. (Q42097656)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17140258 AND SRC:MED&resulttype=core&format=json

22 December 2019

title

A cell-based molecular transport simulator for pharmacokinetic prediction and cheminformatic exploration (English)

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22 December 2019

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2

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22 December 2019

author name string

Xinyuan Zhang

series ordinal

1

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22 December 2019

Gus R Rosania

series ordinal

3

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22 December 2019

language of work or name

English

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publication date

1 November 2006

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22 December 2019

published in

Molecular Pharmaceutics

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22 December 2019

volume

3

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22 December 2019

issue

6

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22 December 2019

page(s)

704-716

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Oncology exploration: charting cancer medicinal chemistry space

22 December 2019

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29 May 2018

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29 May 2018

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Predicting Caco-2 cell permeation coefficients of organic molecules using membrane-interaction QSAR analysis

29 May 2018

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29 May 2018

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29 May 2018

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Caco-2 monolayers in experimental and theoretical predictions of drug transport

29 May 2018

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

29 May 2018

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29 May 2018

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Correlation of human jejunal permeability (in vivo) of drugs with experimentally and theoretically derived parameters. A multivariate data analysis approach

29 May 2018

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Correlation between oral drug absorption in humans, and apparent drug permeability in TC-7 cells, a human epithelial intestinal cell line: comparison with the parental Caco-2 cell line

29 May 2018

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29 May 2018

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29 May 2018

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HT29-MTX/Caco-2 cocultures as an in vitro model for the intestinal epithelium: in vitro-in vivo correlation with permeability data from rats and humans

29 May 2018

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29 May 2018

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29 May 2018

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29 May 2018

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29 May 2018

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29 May 2018

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29 May 2018

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29 May 2018

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29 May 2018

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29 May 2018

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Pharmacokinetics of beta-adrenoceptor blocking agents: clinical significance of hepatic and/or renal clearance.

29 May 2018

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Correlation between oral drug absorption in humans and apparent drug permeability coefficients in human intestinal epithelial (Caco-2) cells

29 May 2018

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Permeability dominates in vivo intestinal absorption of P-gp substrate with high solubility and high permeability

29 May 2018

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Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: application to prediction of Caco-2 cell permeability

17 August 2018

1 reference

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A predictive model for the selective accumulation of chemicals in tumor cells

17 August 2018

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Molecular properties of WHO essential drugs and provisional biopharmaceutical classification

17 August 2018

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Caco-2 permeability of weakly basic drugs predicted with the double-sink PAMPA pKa(flux) method.

17 August 2018

1 reference

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Ion-trapping, microsomal binding, and unbound drug distribution in the hepatic retention of basic drugs

17 August 2018

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pH-dependent bidirectional transport of weakly basic drugs across Caco-2 monolayers: implications for drug-drug interactions.

17 August 2018

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Novel methods for the prediction of logP, pK(a), and logD.

17 August 2018

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Pharmacokinetically based mapping device for chemical space navigation

17 August 2018

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A rapid method for pKa determination of drugs using pressure-assisted capillary electrophoresis with photodiode array detection in drug discovery

17 August 2018

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High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes

17 August 2018

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Effect of molecular charge on intestinal epithelial drug transport: pH-dependent transport of cationic drugs.

17 August 2018

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Estimation of permeability by passive diffusion through Caco-2 cell monolayers using the drugs' lipophilicity and molecular weight

17 August 2018

1 reference

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Correlating partitioning and caco-2 cell permeability of structurally diverse small molecular weight compounds

17 August 2018

1 reference

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Theoretical calculation and prediction of Caco-2 cell permeability using MolSurf parametrization and PLS statistics

17 August 2018

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12 December 2020

Combined application of parallel artificial membrane permeability assay and Caco-2 permeability assays in drug discovery

1 reference

12 December 2020

Drug liposome partitioning as a tool for the prediction of human passive intestinal absorption

1 reference

12 December 2020

Different retention behavior of structurally diverse basic and neutral drugs in immobilized artificial membrane and reversed-phase high performance liquid chromatography: comparison with octanol-water partitioning

1 reference

12 December 2020

In vitro permeability across Caco-2 cells (colonic) can predict in vivo (small intestinal) absorption in man--fact or myth

1 reference

12 December 2020

Estimation of the relative contribution of the transcellular and paracellular pathway to the transport of passively absorbed drugs in the Caco-2 cell culture model

1 reference

12 December 2020

Drug interactions with diosmectite: a study using the artificial stomach-duodenum model

1 reference

12 December 2020

A comparative study of artificial membrane permeability assay for high throughput profiling of drug absorption potential

1 reference

12 December 2020

Pharmacokinetics of atenolol enantiomers in humans and rats

1 reference

12 December 2020

Determination of the pKa values of β-blockers by automated potentiometric titrations

1 reference

12 December 2020

Prediction of membrane permeability to peptides from calculated dynamic molecular surface properties

1 reference

12 December 2020

Correlation of drug absorption with molecular surface properties

1 reference

12 December 2020

Rapid pKa estimation using vacuum-assisted multiplexed capillary electrophoresis (VAMCE) with ultraviolet detection

1 reference

12 December 2020

Identifiers

DOI

10.1021/MP060046K

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17140258 AND SRC:MED&resulttype=core&format=json

22 December 2019

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17140258 AND SRC:MED&resulttype=core&format=json

22 December 2019

PubMed publication ID

17140258

1 reference