(Q42114873)

English

Predicting efflux ratios and blood-brain barrier penetration from chemical structure: combining passive permeability with active efflux by P-glycoprotein

scientific article published on 11 December 2012

In more languages

Statements

scholarly article

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

Predicting efflux ratios and blood-brain barrier penetration from chemical structure: combining passive permeability with active efflux by P-glycoprotein (English)

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

blood–brain barrier

1 reference

based on heuristic

author name string

Elena Dolghih

1

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

Matthew P Jacobson

2

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

language of work or name

1 reference

based on heuristic

publication date

11 December 2012

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

ACS Chemical Neuroscience

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

4

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

2

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

361-367

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Testing physical models of passive membrane permeation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Structural modifications that alter the P-glycoprotein efflux properties of compounds

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Knowledge-Based, Central Nervous System (CNS) Lead Selection and Lead Optimization for CNS Drug Discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Improving the prediction of the brain disposition for orally administered drugs using BDDCS.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Predicting binding to p-glycoprotein by flexible receptor docking

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Addressing central nervous system (CNS) penetration in drug discovery: basics and implications of the evolving new concept

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Structure and function of the blood-brain barrier

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Assessment of the blood-brain barrier in CNS drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Brain drug targeting: a computational approach for overcoming blood-brain barrier

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

P-glycoprotein deficient mouse in situ blood-brain barrier permeability and its prediction using an in combo PAMPA model

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

In vitro P-glycoprotein assays to predict the in vivo interactions of P-glycoprotein with drugs in the central nervous system

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Effect of P-glycoprotein expression levels on the concentration-dependent permeability of drugs to the cell membrane

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Evaluation of in vitro brain penetration: optimized PAMPA and MDCKII-MDR1 assay comparison.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Transport characteristics of zolmitriptan in a human intestinal epithelial cell line Caco-2

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Blood-brain barrier delivery of protein and non-viral gene therapeutics with molecular Trojan horses

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

A primer on the mechanics of P-glycoprotein the multidrug transporter.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Evaluation of the MDR-MDCK cell line as a permeability screen for the blood-brain barrier.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Drug transporters in the central nervous system: brain barriers and brain parenchyma considerations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Rational use of in vitro P-glycoprotein assays in drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Inhibitory potencies of 1,4-dihydropyridine calcium antagonists to P-glycoprotein-mediated transport: comparison with the effects on CYP3A4.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Effect of modulators on the ATPase activity and vanadate nucleotide trapping of human P-glycoprotein

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Tissue levels of several radiolabelled beta-adrenoceptor antagonists after intravenous administration in rats

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

29 May 2018

Insights for predicting blood-brain barrier penetration of CNS targeted molecules using QSPR approaches

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

17 August 2018

Model analysis of the concentration-dependent permeability of P-gp substrates

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

17 August 2018

Kinetic characterization of sulfasalazine transport by human ATP-binding cassette G2.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

17 August 2018

Conformational flexibility, internal hydrogen bonding, and passive membrane permeability: successful in silico prediction of the relative permeabilities of cyclic peptides

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

17 August 2018

Use of a physiologically based pharmacokinetic model to study the time to reach brain equilibrium: an experimental analysis of the role of blood-brain barrier permeability, plasma protein binding, and brain tissue binding

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

17 August 2018

Simultaneous binding of two different drugs in the binding pocket of the human multidrug resistance P-glycoprotein

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

17 August 2018

Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

17 August 2018

P-glycoprotein limits the brain penetration of nonsedating but not sedating H1-antagonists

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

17 August 2018

Influence of passive permeability on apparent P-glycoprotein kinetics.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

17 August 2018

An atomistic model of passive membrane permeability: application to a series of FDA approved drugs

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3582291

1 December 2018

Pharmacological inhibition of P-glycoprotein transport enhances the distribution of HIV-1 protease inhibitors into brain and testes

1 reference

https://pubmed.ncbi.nlm.nih.gov/23421687

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Pharmacokinetic study of the hepatobiliary transport of indomethacin

1 reference

https://pubmed.ncbi.nlm.nih.gov/23421687

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Computational models to predict blood-brain barrier permeation and CNS activity

1 reference

https://pubmed.ncbi.nlm.nih.gov/23421687

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

1 reference

https://pubmed.ncbi.nlm.nih.gov/23421687

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/CN3001922

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

16 October 2017

ResearchGate publication ID

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q42114873&oldid=1933846883"