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prediction full pbpk method 2  (Simcyp)

 
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    Simcyp prediction full pbpk method 2
    The workflow of developing and validating the atomoxetine <t>full-PBPK</t> model and extrapolating the validated model to predict atomoxetine disposition in different ethnicities, special populations, and DDIs.
    Prediction Full Pbpk Method 2, supplied by Simcyp, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/prediction+full+pbpk+method+2/method+2/pmc05637815-11-7-6
    Average 90 stars, based on 1 article reviews
    prediction full pbpk method 2 - by Bioz Stars, 2026-09
    90/100 stars

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    1) Product Images from "Physiologically Based Pharmacokinetic Model of the CYP2D6 Probe Atomoxetine: Extrapolation to Special Populations and Drug-Drug Interactions "

    Article Title: Physiologically Based Pharmacokinetic Model of the CYP2D6 Probe Atomoxetine: Extrapolation to Special Populations and Drug-Drug Interactions

    Journal: Drug Metabolism and Disposition

    doi: 10.1124/dmd.117.076455

    The workflow of developing and validating the atomoxetine full-PBPK model and extrapolating the validated model to predict atomoxetine disposition in different ethnicities, special populations, and DDIs.
    Figure Legend Snippet: The workflow of developing and validating the atomoxetine full-PBPK model and extrapolating the validated model to predict atomoxetine disposition in different ethnicities, special populations, and DDIs.

    Techniques Used:

    Physicochemical and PK parameters of atomoxetine used in the PBPK model development
    Figure Legend Snippet: Physicochemical and PK parameters of atomoxetine used in the PBPK model development

    Techniques Used: Molecular Weight, Recombinant

    Related Articles

    other:


    Molecular Weight:

    Article Title: Physiologically Based Pharmacokinetic Model of the CYP2D6 Probe Atomoxetine: Extrapolation to Special Populations and Drug-Drug Interactions
    Article Snippet: .. The predicted volume of distribution at steady state (Vss) value was 0.74 l/kg, compared with the observed atomoxetine Vss value of 1.02–1.09 l/kg ( Center for Drug Evaluation and Research, 2002 ) following intravenous dosing in healthy subjects. table ft1 table-wrap mode="anchored" t5 TABLE 1 caption a7 Parameter Value Reference Physicochemical Molecular Weight (g/mol) 255.36 Stattera NDA Log P 3.9 NDA p K a 9.8 NDA f u 0.025 NDA B/P 0.623 Simcyp prediction toolbox Absorption F a 0.96 k a (l/h) 1.2 Optimized Q gut (l/h) 11.9 Simcyp prediction toolbox Distribution V ss (l/kg) 0.74 Simcyp prediction full PBPK method 2 Metabolism/elimination CL i.v. (l/h) 16.3 NDA CL r (l/h) 0.185 Sauer et al. (2003) f m,CYP2D6 0.876 Recombinant CL int ( μ l/min/pmol) CYP2D6 25.4 CYP2C19 1.84 P450 enzyme abundance (pmol/mg microsomal protein) CYP2D6 EM 8 (61) a Simcyp default value CYP2C19 EM 14 (40) a Optimized Interaction CYP2D6 K i ( μ M) 34.3 Sauer et al. (2004) CYP3A4 K i ( μ M) 3.6 Sauer et al. (2004) Open in a separate window B/P, blood-to-plasma ratio; CL i.v. , clearance after intravenous administration; CL r , renal clearance; F a , fraction absorbed; f m , fraction metabolized; f u , fraction unbound in plasma; k a , absorption rate constant; K i , inhibition constant; Log P, log octanol:water partition coefficient; Q gut , drug absorption flow to intestine; V ss , volume of distribution at steady state. a Mean value (coefficient of variance). .. Physicochemical and PK parameters of atomoxetine used in the PBPK model development Simulation of Atomoxetine Disposition and Validation of the Atomoxetine PBPK Model. All simulations were performed using the Simcyp population-based simulator and a full PBPK model.

    Recombinant:

    Article Title: Physiologically Based Pharmacokinetic Model of the CYP2D6 Probe Atomoxetine: Extrapolation to Special Populations and Drug-Drug Interactions
    Article Snippet: .. The predicted volume of distribution at steady state (Vss) value was 0.74 l/kg, compared with the observed atomoxetine Vss value of 1.02–1.09 l/kg ( Center for Drug Evaluation and Research, 2002 ) following intravenous dosing in healthy subjects. table ft1 table-wrap mode="anchored" t5 TABLE 1 caption a7 Parameter Value Reference Physicochemical Molecular Weight (g/mol) 255.36 Stattera NDA Log P 3.9 NDA p K a 9.8 NDA f u 0.025 NDA B/P 0.623 Simcyp prediction toolbox Absorption F a 0.96 k a (l/h) 1.2 Optimized Q gut (l/h) 11.9 Simcyp prediction toolbox Distribution V ss (l/kg) 0.74 Simcyp prediction full PBPK method 2 Metabolism/elimination CL i.v. (l/h) 16.3 NDA CL r (l/h) 0.185 Sauer et al. (2003) f m,CYP2D6 0.876 Recombinant CL int ( μ l/min/pmol) CYP2D6 25.4 CYP2C19 1.84 P450 enzyme abundance (pmol/mg microsomal protein) CYP2D6 EM 8 (61) a Simcyp default value CYP2C19 EM 14 (40) a Optimized Interaction CYP2D6 K i ( μ M) 34.3 Sauer et al. (2004) CYP3A4 K i ( μ M) 3.6 Sauer et al. (2004) Open in a separate window B/P, blood-to-plasma ratio; CL i.v. , clearance after intravenous administration; CL r , renal clearance; F a , fraction absorbed; f m , fraction metabolized; f u , fraction unbound in plasma; k a , absorption rate constant; K i , inhibition constant; Log P, log octanol:water partition coefficient; Q gut , drug absorption flow to intestine; V ss , volume of distribution at steady state. a Mean value (coefficient of variance). .. Physicochemical and PK parameters of atomoxetine used in the PBPK model development Simulation of Atomoxetine Disposition and Validation of the Atomoxetine PBPK Model. All simulations were performed using the Simcyp population-based simulator and a full PBPK model.

    Clinical Proteomics:

    Article Title: Physiologically Based Pharmacokinetic Model of the CYP2D6 Probe Atomoxetine: Extrapolation to Special Populations and Drug-Drug Interactions
    Article Snippet: .. The predicted volume of distribution at steady state (Vss) value was 0.74 l/kg, compared with the observed atomoxetine Vss value of 1.02–1.09 l/kg ( Center for Drug Evaluation and Research, 2002 ) following intravenous dosing in healthy subjects. table ft1 table-wrap mode="anchored" t5 TABLE 1 caption a7 Parameter Value Reference Physicochemical Molecular Weight (g/mol) 255.36 Stattera NDA Log P 3.9 NDA p K a 9.8 NDA f u 0.025 NDA B/P 0.623 Simcyp prediction toolbox Absorption F a 0.96 k a (l/h) 1.2 Optimized Q gut (l/h) 11.9 Simcyp prediction toolbox Distribution V ss (l/kg) 0.74 Simcyp prediction full PBPK method 2 Metabolism/elimination CL i.v. (l/h) 16.3 NDA CL r (l/h) 0.185 Sauer et al. (2003) f m,CYP2D6 0.876 Recombinant CL int ( μ l/min/pmol) CYP2D6 25.4 CYP2C19 1.84 P450 enzyme abundance (pmol/mg microsomal protein) CYP2D6 EM 8 (61) a Simcyp default value CYP2C19 EM 14 (40) a Optimized Interaction CYP2D6 K i ( μ M) 34.3 Sauer et al. (2004) CYP3A4 K i ( μ M) 3.6 Sauer et al. (2004) Open in a separate window B/P, blood-to-plasma ratio; CL i.v. , clearance after intravenous administration; CL r , renal clearance; F a , fraction absorbed; f m , fraction metabolized; f u , fraction unbound in plasma; k a , absorption rate constant; K i , inhibition constant; Log P, log octanol:water partition coefficient; Q gut , drug absorption flow to intestine; V ss , volume of distribution at steady state. a Mean value (coefficient of variance). .. Physicochemical and PK parameters of atomoxetine used in the PBPK model development Simulation of Atomoxetine Disposition and Validation of the Atomoxetine PBPK Model. All simulations were performed using the Simcyp population-based simulator and a full PBPK model.

    Inhibition:

    Article Title: Physiologically Based Pharmacokinetic Model of the CYP2D6 Probe Atomoxetine: Extrapolation to Special Populations and Drug-Drug Interactions
    Article Snippet: .. The predicted volume of distribution at steady state (Vss) value was 0.74 l/kg, compared with the observed atomoxetine Vss value of 1.02–1.09 l/kg ( Center for Drug Evaluation and Research, 2002 ) following intravenous dosing in healthy subjects. table ft1 table-wrap mode="anchored" t5 TABLE 1 caption a7 Parameter Value Reference Physicochemical Molecular Weight (g/mol) 255.36 Stattera NDA Log P 3.9 NDA p K a 9.8 NDA f u 0.025 NDA B/P 0.623 Simcyp prediction toolbox Absorption F a 0.96 k a (l/h) 1.2 Optimized Q gut (l/h) 11.9 Simcyp prediction toolbox Distribution V ss (l/kg) 0.74 Simcyp prediction full PBPK method 2 Metabolism/elimination CL i.v. (l/h) 16.3 NDA CL r (l/h) 0.185 Sauer et al. (2003) f m,CYP2D6 0.876 Recombinant CL int ( μ l/min/pmol) CYP2D6 25.4 CYP2C19 1.84 P450 enzyme abundance (pmol/mg microsomal protein) CYP2D6 EM 8 (61) a Simcyp default value CYP2C19 EM 14 (40) a Optimized Interaction CYP2D6 K i ( μ M) 34.3 Sauer et al. (2004) CYP3A4 K i ( μ M) 3.6 Sauer et al. (2004) Open in a separate window B/P, blood-to-plasma ratio; CL i.v. , clearance after intravenous administration; CL r , renal clearance; F a , fraction absorbed; f m , fraction metabolized; f u , fraction unbound in plasma; k a , absorption rate constant; K i , inhibition constant; Log P, log octanol:water partition coefficient; Q gut , drug absorption flow to intestine; V ss , volume of distribution at steady state. a Mean value (coefficient of variance). .. Physicochemical and PK parameters of atomoxetine used in the PBPK model development Simulation of Atomoxetine Disposition and Validation of the Atomoxetine PBPK Model. All simulations were performed using the Simcyp population-based simulator and a full PBPK model.



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    The workflow of developing and validating the atomoxetine full-PBPK model and extrapolating the validated model to predict atomoxetine disposition in different ethnicities, special populations, and DDIs.

    Journal: Drug Metabolism and Disposition

    Article Title: Physiologically Based Pharmacokinetic Model of the CYP2D6 Probe Atomoxetine: Extrapolation to Special Populations and Drug-Drug Interactions

    doi: 10.1124/dmd.117.076455

    Figure Lengend Snippet: The workflow of developing and validating the atomoxetine full-PBPK model and extrapolating the validated model to predict atomoxetine disposition in different ethnicities, special populations, and DDIs.

    Article Snippet: V ss (l/kg) , 0.74 , Simcyp prediction full PBPK method 2.

    Techniques:

    Physicochemical and PK parameters of atomoxetine used in the PBPK model development

    Journal: Drug Metabolism and Disposition

    Article Title: Physiologically Based Pharmacokinetic Model of the CYP2D6 Probe Atomoxetine: Extrapolation to Special Populations and Drug-Drug Interactions

    doi: 10.1124/dmd.117.076455

    Figure Lengend Snippet: Physicochemical and PK parameters of atomoxetine used in the PBPK model development

    Article Snippet: V ss (l/kg) , 0.74 , Simcyp prediction full PBPK method 2.

    Techniques: Molecular Weight, Recombinant