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Predicting apparent passive permeability of Caco

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Tutorial Predicting human pharmacokinetics from

(apparent permeability,10-6 cm/s) obtained from the Caco-2 permeability study is frequently used instead of P eff because both are closely correlated [2],and the in vitro Caco-2 study is much simpler than the endoscopic balloon study to obtain the P eff in humans.The correlation between P app and P eff is shown in Fig.4.In summary,P app fromSome results are removed in response to a notice of local law requirement.For more information,please see here.Previous123456NextRecent Advances in Computational Prediction of Drug retical models to predict drug absorption-related properties,such as intestinal absorption,Caco-2 permeability,and blood-brain partitioning are reviewed.The important physicochemical properties used in the prediction of drug absorp-tion,and the relevance of predictive models in the evaluation of passive drug absorption are discussed.

Prediction of the permeability of neutral drugs inferred

Predicting Caco-2 permeability using support vector machine and chemistry development kit.J.Pharm.Pharm.Sci.,9,210 Influence of passive permeability on apparentPrediction of the in vitro permeability determined in Caco Feb 09,2011 Predicting apparent passive permeability of Caco#0183;Caco-2 cells are currently the most used in vitro tool for prediction of the potential oral absorption of new drugs.The existence of computational models based on this data may potentiate the early selection process of new drugs,but the current models are based on a limited number of cases or on a reduced molecular space.Prediction of Membrane Permeability to Peptides from Purpose.To develop a theoretical method for prediction of transcellular permeability to peptides.Methods.The dynamic molecular surface properties of 19 oligopeptide derivatives,divided into three homologous series were calculated.The dynamic molecular surface properties were compared with commonly used experimental predictors of membrane permeability such as partition coefficients.

Predicting apparent passive permeability of Caco-2 and

Where P app (Caco-2/MDCK) is the apparent cell permeability through the Caco-2/MDCK cell monolayer at a pH of 7.4,P p a r a t o t a l is the permeability of the paracellular permeation pathway,P l a t e r a l t o t a l is the permeability of the lateral permeation pathway and P c y t o s o l i c t o t a l is the permeability of the cytosolic Predicting apparent passive permeability of Caco-2 and Dec 01,2017 Predicting apparent passive permeability of Caco#0183;Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers A mechanistic model Bittermann,Kai; Goss,Kai-Uwe; Abstract.Publication PLoS ONE.Pub Date December 2017 DOI 10.1371/journal.pone.0190319 Bibcode 2017PLoSO..1290319B full text sources Predicting apparent passive permeability of Caco-2 and Cited by 20Publish Year 2017Author Kai Bittermann,Kai-Uwe Goss,Kai-Uwe GossIntroduction.Apparent cell permeabilities,Papp,through monolayers of human intestinal epithelialMaterials and method.We collected experimental Caco-2 and MDCK cell line apparent permeabilityPredicting apparent passive permeability of Caco-2 and Dec 27,2017 Predicting apparent passive permeability of Caco#0183;Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers A mechanistic model.Bittermann K(1),Goss KU(1)(2).Author information (1)Analytical Environmental Chemistry,Helmholtz Centre for Environmental Research - UFZ,Leipzig,Germany.(2)Department of Chemistry,University of Halle-Wittenberg,Halle,Germany.

Predicting a Drugs Membrane Permeability A

Mar 27,2017 Predicting apparent passive permeability of Caco#0183;govern the permeability.19 For prediction of passive membrane permeability,the most critical parameter in QSPR studies is lipophilicity.20 Lip-ophilicity is a crucial factor governing passive membrane partitioning,21 and calculated lipophilicity metrics are often utilized to predict drug absorption.22 The parameter thatPredicting a Drugs Membrane Permeability A Predicting apparent passive permeability of Caco#0183;2.1.2.Permeability.Apparent permeability (P app) data measured in cm/s 1 was collected for compounds with known fraction absorption.The dataset contains apparent permeability data for the two different cell lines Caco-2 and MDCK obtained from the literature.The dataset contains 386 Caco-2 and 246 MDCK P app values for drug and drug-like Predicting Caco-2 Permeability Using Support Vector prediction model.RESULTS The correlation coefficients (r) of the experimental and predicted Caco-2 apparent permeability for the training set and the test set were 0.88 and 0.85,respectively.CONCLUSIONS The results suggest that the SVM method is effective for predicting Caco-2 permeability.Membrane permeability of

Predicting Caco-2 Permeability Using Support Vector

RESULTS The correlation coefficients (r) of the experimental and predicted Caco-2 apparent permeability for the training set and the test set were 0.88 and 0.85,respectively.CONCLUSION The results suggest that the SVM method is effective for predicting Caco-2 permeability.Membrane permeability of compounds is determined by number of H-bond MethodsThe final P app is than derived describing apparent cell permeability through Caco-2/MDCK cell monolayer at pH 7.4.Bittermann K,Goss K-U (2017) Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers A mechanistic model.MembranesModel of cell monolayer described by deriving apparent cell permeability through Caco-2/MDCK cell monolayer at pH 7.4.Bittermann K,Goss K-U (2017) Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers A mechanistic model.

Influence of Passive Permeability on Apparent P

Purpose.The objectives of this work were to evaluate the importance of moderate passive permeability on apparent P-glycoprotein (P-gp) kinetics,and demonstrate that inspection of basolateral to apical and apical to basolateral (BL-AP/AP-BL) permeability ratios may result in a compound being overlooked as a P-gp substrate and inhibitor of another drug's transport via P-gp inhibition.In Vitro Intrinsic Permeability A Transporter-Independent The intrinsic Papp value gives an estimate of passive permeability,which is independent of transporter expression levels and not limited by solubility or cell toxicity.An in silico model has been established to predict the Caco-2 intrinsic permeability and shown toDevelopment of Ussing model coupled with artificial Apr 15,2020 Predicting apparent passive permeability of Caco#0183;In this study,we developed an Ussing model coupled with artificial membrane (AM-Ussing) for predicting the permeability of passive diffusion.Furthermore,by the combination of AM-Ussing and Ussing model,the three different mechanisms including efflux transport,uptake transport and passive diffusion could be successfully distinguished.

Determination of drug absorption parameters in Caco-2

Prediction of in vivo absorption based on in vitro methodology may help reduce the volume of (e.g.passive permeability and active efflux) is still not the common procedure in the analysis of permeation data and the usually employed apparent permeability coefficient P app and efflux ratio (ER) are afflicted with limitations.The objective Current Projects - Helmholtz-Zentrum f Predicting apparent passive permeability of Caco#252;r UmweltforschungAlso,passive membrane permeability is a key to predicting uncoupling activity.Contact person at UFZ Andrea Ebert and Kai-Uwe Goss.References Bittermann,Kai,and Kai-Uwe Goss.2017.Predicting Apparent Passive Permeability of Caco-2 and MDCK Cell-Monolayers A Mechanistic Model. PLoS ONE 12(12) 120.Current Projects - Helmholtz-Centre for EnvironmentalAlso,passive membrane permeability is a key to predicting uncoupling activity.Contact person at UFZ Andrea Ebert and Kai-Uwe Goss.References Bittermann,Kai,and Kai-Uwe Goss.2017.Predicting Apparent Passive Permeability of Caco-2 and MDCK Cell-Monolayers A Mechanistic Model. PLoS ONE 12(12) 120.

Cited by 943Publish Year 2007Author Ina Hubatsch,Eva G E Ragnarsson,Per ArturssonA General Model for Prediction of Caco2 Cell Permeability

In order to deal with current issues of data quantity and quality the wellestablished Caco2 cell model was used to generate accurate permeability data of apparent passive transport for a large set of structurally diverse compounds.PLS statistics was used to correlate calculated descriptors to log P app.This new prediction model for Caco2 cell permeability has incorporated many different descriptor types to deal with the multivariate nature of permeability.Cited by 27Publish Year 2004Author Anneli Nordqvist,Jonas Nilsson,Tuulikki Lindmark,Alf Eriksson,Per Garberg,Mats Kihl Predicting apparent passive permeability of Caco#233;nA General Model for Prediction of Caco-2 Cell Permeability This model may be a valuable tool for prediction and simulation in the drug development process,as it allows the in silico estimation of the in vitro Caco-2 apparent permeability.View Show abstractCited by 23Publish Year 2017Author Linda Fredlund,Susanne Winiwarter,Constanze HilgendorfComparative permeability of three saikosaponins and Jun 30,2020 Predicting apparent passive permeability of Caco#0183;A permeability model of Caco-2 cell monolayer was established and validated. An UHPLC-MS/MS method was developed for 3 saikosaponins and their saikogenins. The permeability of SSa,SSb 2 and SSd improved after in vivo deglycosylation. Transport mechanism Active uptake of SSd or SGs,passive diffusion of SSa or SSb 2.

Cited by 21Publish Year 2012Author Edward C.Sherer,Andreas Verras,Maria Madeira,William K.Hagmann,Robert P.Sheridan,Drew RobertDetermination of drug permeability and prediction of drug

Permeability coefficients across monolayers of the human colon carcinoma cell line Caco-2,cultured on permeable supports,are commonly used to predict the absorption of orally administered drugs and other xenobiotics.This protocol describes our method for the cultivation,characterization and deteCited by 20Publish Year 2017Author Kai Bittermann,Kai-Uwe Goss,Kai-Uwe GossQSAR Prediction of Passive Permeability in the LLC-PK1 The QSAR model was used to predict the Caco-2 cell permeability for 313 compounds described in the literature with good success.We find that passive permeability for different cell lines can be predicted with similar molecular properties and descriptors.Cited by 20Publish Year 2017Author Kai Bittermann,Kai-Uwe Goss,Kai-Uwe GossPredicting apparent passive permeability of Caco-2 and Predicting MDCK cell permeation coefficients of organic molecules using membrane-interaction QSAR analysis.Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers A mechanistic model.PLOS ONE,Nov 2019 Kai Bittermann,Kai-Uwe Goss.Kai Bittermann.Kai-Uwe Goss

Cited by 20Publish Year 2017Author Kai Bittermann,Kai-Uwe Goss,Kai-Uwe GossPredicting apparent passive permeability of Caco-2 and

Fig 3.Modeled vs experimental apparent Caco-2 and MDCK cell permeability at pH 7.4.Yellow diamonds were modeled with three optional permeation routes (paracellular,cytosolic and lateral),while x-shaped black crosses are chemicals that were a priori limited to the paracellular route,because they were estimated to be 100% ionized.The model has an overall predictive quality of RMSE = 0.48 Cited by 20Publish Year 2017Author Kai Bittermann,Kai-Uwe Goss,Kai-Uwe GossPeople also askHow is Caco-2 permeability measured?How is Caco-2 permeability measured?A bi-directional Caco-2 permeability assay is performed where the transport of the compound is measured in the apical to basolateral direction as well as the basolateral to apical direction.The result is typically reported as an efflux ratio i.e.P app (B-A)/P app (A-B).Caco-2 Permeability Assay - CyprotexCited by 20Publish Year 2017Author Kai Bittermann,Kai-Uwe Goss,Kai-Uwe Goss Predicting apparent passive permeability of Caco-2 DOI 10.1371/journal.pone.0190319 Corpus ID 44052535.Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers A mechanistic model @article{Bittermann2017PredictingAP,title={Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers A mechanistic model},author={Kai Bittermann and K.Goss},journal={PLoS ONE},year={2017},volume={12} }

CiteSeerX Citation Query Predicting Caco-2 cell

ABSTRACT Intestinal transcellular permeability (P m ),measured across cell lines such as Caco-2 cells in vitro,is often used for assessing oral drug absorption potential in humans.However,the quantitative link between in vitro permeability and apparent in vivo absorption kinetics,based on drug appearance in plasma,is poorly understood.Caco-2 Permeability Assay,In Vitro Drug MetabolismCaco-2 Permeability Assay.Predict intestinal permeability and oral absorption of compounds.The Caco-2 monolayer is widely used across the pharmaceutical industry as an in vitro model of the human small intestinal mucosa to predict the absorption of orally administered drugs. Predicting apparent passive permeability of Caco#185;Caco-2 Permeability Assay - IONTOXPredict the intestinal permeability and oral absorption of your test compound using our Caco-2 permeability assay.The Caco-2 permeability assay is an FDA required assay for companies applying for an Investigational New Drug (IND) and delivers key

Caco-2 Permeability Assay - DDA Platform

Caco-2 permeability assay is a part of our portfolio of in vitro ADME screening services.Creative Bioarray delivers consistent,high quality Caco-2 assay data with cost-efficiency that comes from a highly automated approach.Available Caco-2 Permeability Assay at Creative Bioarray.Passive permeability in Caco-2; Evaluation of MDR1 substrate Caco-2 Permeability - Creative BiolabsIn addition to determine the permeability by passive diffusion,Caco-2 cells can also assess the permeability by active uptake/efflux and paracellular active transport as they can express transporter proteins,efflux proteins,and Phase II conjugation enzymes.In many cases,the Caco-2 cell monolayer mimics the human intestinal epithelium.Caco-2 Method Validation BientaThe use of animal or in vitro permeability test methods is recommended only for drug substances that are transported by passive mechanisms (efflux ratio of the test drug should be Predicting apparent passive permeability of Cacolt; 2). Typical results of the efflux ratio (B-A)/(A-B) evaluation for 4 reference compounds in bidirectional Caco-2

Author Siqi Ren,Jingjing Liu,Yunwen Xue,Mei Zhang,Qiwei Liu,Jie Xu,Zunjian Zhang,Rui SongPublish Year 2020Some results are removed in response to a notice of local law requirement.For more information,please see here.12345NextDetermination of drug permeability and prediction of drug

Aug 23,2007 Predicting apparent passive permeability of Caco#0183;Permeability coefficients across monolayers of the human colon carcinoma cell line Caco-2,cultured on permeable supports,are commonly used to predict the absorption of orally administered drugs ADME Evaluation in Drug Discovery.5.Correlation ofFor passive diffusion,two types exist for permeation,the paracellular and the transcellular routes.Many factors will affect the passive intestinal permeability of a molecule including lipophilicity,hydrogen bonding capacity,solute size,and et al.8,9 Many physicochemical descriptors have been introduced to construct the Caco-2 permeability : TCP : Translational and Clinical PharmacologyPredicting the rate and extent of oral absorption of drugs in humans has been a challenging task for new drug researchers.This tutorial reviews in vitro and PBPK methods reported in the past decades that are widely applied to predicting oral absorption in humans.The physicochemical property and permeability (typically obtained using Caco-2 system) data is the first necessity to predict the

432 IEEE/ACM TRANSACTIONS ON COMPUTATIONAL

Structurally heterogeneous compounds with in-vitro Caco-2 apparent permeability (LogPapp) values were gathered from the literature [2],[3] as shown in Fig.1.P.Paix~ao et al.[2] provide a list of 296 compounds with drug names and in-vitro Caco-2 permeability data.Compounds that are absorbed by passive diffusion,active transport are (PDF) Prediction of Drug Absorption Using Multivariate Artursson et al.52 discussed the sources of variability in Caco-2 cell permeability assays and compared four calibration curves between percent human absorption and Caco-2 cell permeability,finding high interlaboratory variability; the curves were shifted relative to one another by approximately 0.25-1.75 log apparent permeability units.(PDF) Predicting apparent passive permeability of Caco-2 Dec 27,2017 Predicting apparent passive permeability of Caco#0183;Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers A mechanistic model

results for this questionWhat is Cyprotex's Caco-2 permeability?What is Cyprotex's Caco-2 permeability?Cyprotex's Caco-2 Permeability data can be used in conjunction with Cyprotex's Turbidimetric Solubility data to predict dose dependent human intestinal absorption.Please refer to our Human Intestinal Absorption Model section for further details.Caco-2 Permeability Assay - Cyprotex results for this questionWhat is Caco 2 permeability assay?What is Caco 2 permeability assay?Caco-2 permeability assay to investigate intestinal permeability.Cyprotex's Caco-2 Permeability assay uses an established method for predicting the in vivo absorption of drugs across the gut wall by measuring the rate of transport of a compound across the Caco-2 cell line.The Caco-2 cell line is derived from a human colon carcinoma.Caco-2 Permeability Assay - Cyprotex results for this questionHow is the permeability coefficient calculated?How is the permeability coefficient calculated?The permeability coefficient (P app) is calculated from the following equation Where dQ/dt is the rate of permeation of the drug across the cells,C 0 is the donor concentration at time zero and A is the area of the cell monolayer.How do I interpret the data from the Caco-2 permeability assay?Caco-2 Permeability Assay - Cyprotex

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RESEARCH ARTICLE Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers A mechanistic model Kai Bittermann1,Kai-Uwe Goss1,2* 1 Analytical Environmental Chemistry,Helmholtz Centre for Environmental Research - UFZ,Leipzig,Germany,2 Department of Chemistry,University of Halle-Wittenberg,Halle,Germany These authors contributed equally to this

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