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The models provided have been collated from published examples which authors have shared in our Published Model Collection or developed as part of various global health projects in our Global Health Collection. This search facility searches both model collections simultaneously.

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Found 80 Matches

Eltrombopag_RES_V21R1_Simcyp_20230615

Model Files Publication

Prepared: June 2023 The RES-Eltrombopag_V21 model has been developed primarily as an inhibitor of hepatic OATP1B1 and OATP1B3, and intestinal BCRP using the New GI physiology in Simcyp V21 with altered GI tract population inputs that became default in V22. The file is verified as tablet in the fasted state as that formulation was used in the Rosuvastatin DDI (Allred et al., 2011). The PK for Eltrombopag was evaluated at 25mg, 50mg and 75mg SD; 50mg QD, 100mg QD, 150mg QD, and 200mg QD. Note, the Rosuvastatin DDI with 75mg QD was used to fit the BCRP component in Rosuvastatin V21 file using the New GI physiology. The BCRP component of Rosuvastatin was then verified with other BCRP-Inhibitors available on the members area (as specified in the attached document) or within the Simcyp Simulator. Allred, A. J., C. J. Bowen, J. W. Park, B. Peng, D. D. Williams, M. B. Wire, and E. Lee. 2011. “Eltrombopag Increases Plasma Rosuvastatin Exposure in Healthy Volunteers.” Journal Article. Br J Clin Pharmacol 72 (2): 321–29.

Search Score: 1

Amodiaquine

Model Files Publication

Brand Name(s) include: Basoquin, Camoquin, Flavoquin, Coarsucam

Disease: Malaria

Drug Class: Antimalarials

Date Updated: June 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2)
Route of Elimination	CYP2C8 = 72%; Additional HLM = 28%
Perpetrator DDI	CYP2D6
Validation	Four clinical studies describing single and multiple dose exposure of amodiaquine were used to verify the PBPK model. In comparison of predicted vs. observed AUC, 75% of the studies were 2-fold and 50% were within 1.5-fold. A clinical DDI study where amodiaquine was the victim of a CYP2C8-mediated DDI was accurately recovered using the PBPK model.
Limitations	Clinical data has not been used to verify amodiaquine as a perpetrator of CYP2D6-mediated DDIs
Updates in V19	Updated in vitrodata fu: 0.033 -> 0.089 B:P: 1.3 -> 1.1 DEAQ Ki for CYP2D6 (µM) – 1.7 -> 1.6 Converted from minimal PBPK model to full PBPK model Recalculated retrograde clearance for CYP2C8 CL_int and additional HLM CL_int

Search Score: 1

DEAQ

Model Files Publication

Brand Name(s) include: N/A

Disease: Malaria

Drug Class: Antimalarials

Date Updated: June 2021

Related Files: Amodiaquine (parent drug)

The model at-a-glance

Absorption Model	N/A
Volume of Distribution	Minimal PBPK (Method 2)
Route of Elimination	CL_PO(non-specific) and renal clearance
Perpetrator DDI	CYP2D6
Validation	Simulations based on 1 clinical study describing multiple dose exposure of DHEA and 1 DDI study where formation of DHEA was the victim of a CYP2C9 mediated DDI were both within 1.5-fold of the observed values.
Limitations	Clinical data has not been used to verify DEAQ as a perpetrator of CYP2D6-mediated DDIs
Updates in V19	Updated DEAQ Ki for CYP2D6

Search Score: 1

Mefloquine

Model Files Publication

Brand Name(s) include: Lariam, Mephaquin, Mefliam

Disease: Malaria

Drug Class: Antimalarials

Date Updated: November 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2)
Route of Elimination	CYP3A4 (fm =100); renal clearance (fe = 0.05)
Perpetrator DDI	CYP2C9 Inhibitor CYP2D6 Inhibitor CYP3A4 Inhibitor
Validation	Six clinical studies describing single and multiple dose exposure of mefloquine were used the verify the PBPK model. Most of the studies (83%) were within 1.5-fold, with all simulations falling within 2-fold of the observed values. Two clinical DDI studies where mefloquine was the victim of a CYP3A4-mediated DDI were accurately recovered using the PBPK model.
Limitations	Only profiles of plasma concentrations assessed, many studies report blood concentrations Mefloquine has significant uptake into erythrocytes and haematocrit levels typically not reported Could be important in disease population (Possible time-varying B/P for Malaria patients?) Cmax for doses > 750 mg over predicted fa possibly decreases with dose, more data needed to fully determine the cause Most literature data extracted from graphs of mean data, difficulty determining accurate early time points due to poor image quality Verification needed for perpetrator DDI assessment as literature data is unavailable at this time
Updates in V19	Updated in vitrodata fu_p: 0.016 -> 0.015 B:P ratio 1.7 -> 1.1 and subsequent re-calculation of CLint using the retrograde approach Converted model to full PBPK distribution model with Vss predicted through Method 2 Sensitivity analysis of ka

Search Score: 1

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Eltrombopag_RES_V21R1_Simcyp_20230615

Amodiaquine

The model at-a-glance

DEAQ

The model at-a-glance

Mefloquine

The model at-a-glance

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