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Simcyp simcyp v21
Simcyp V21, 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/simcyp+v21/simcyp+v19/pm39656410-3-24-25
Average 90 stars, based on 1 article reviews
simcyp v21 - by Bioz Stars, 2026-09
90/100 stars

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Article Title: Prospective DDI Risk Assessment of Vicasinabin with PBPK Modeling by Integrating In Vitro Data.
Article Snippet: Vicasinabin is an oral cannabinoid receptor 2 (CB2) agonist showing antiinflammatory effects and was developed for the treatment of chronic inflammatory diseases such as diabetic retinopathy.. Vicasinabin is mainly metabolized by CYP3A4, with minor contributions from CYP2C19 and UGTs.. The drug shows in vitro induction of CYP3A4, as well as inhibition of hepatic and renal transporters.

Article Title: Evaluation of exposure-response-safety relationship of model-informed low-dose 500 mg abiraterone acetate in prostate cancer patients.
Article Snippet: Population-based ADME simulator Simcyp (version 23, Sheffield, UK) was utilized for simultaneous PBPK/PD simulations of abiraterone PK and time-dependent CYP17A1 enzyme occupancy.

Article Title: A novel physiologically-based pharmacokinetic model to estimate reduced CYP3A4 activity in cancer patients utilizing the neutrophil-to-lymphocyte ratio as an inflammatory marker.
Article Snippet: Purpose In advanced cancer patients the CYP3A4-mediated clearance of drugs is dependent on the severity of inflammation.. In a study in patients with advanced cancer (n = 44) with solid tumors, prior to cancer treatment, high inter-patient variability was observed in the plasma pharmacokinetic (PK) parameters of the CYP3A4 substrate midazolam.. The neutrophil-tolymphocyte ratio (NLR) was used to categorize the degree of inflammation of each patient and in turn to correlate increases in NLR to decreases in CYP3A4 expression.

Article Title: Simultaneous Estimation of fm and F G Values Directly from Clinical Drug-Drug Interaction Study Data.
Article Snippet: Simulated itraconazole and OH-itraconazole concentrations (Simcyp v22) indicated approximately 95% inhibition of hepatic CYP3A (Supplementary Material- 6).

Article Title: Advancing Predictions of Oral Drug Absorption, CYP3A4 Induction, and Transporter-Mediated Interactions Using a Human Primary Intestinal 3D Model (EpiIntestinal™).
Article Snippet: Workflow for PBPK modeling and statistical analysis Physiologically based pharmacokinetic (PBPK) modeling was conducted using the Simcyp® v23.1 simulator.

Permeability:

Article Title: A Bottom-up Approach for Mutant and Wild Type Collies Using Physiologically Based Pharmacokinetic (PBPK) Modeling: A Case Study Using Loperamide.
Article Snippet: A bottom-up physiologically based pharmacokinetic (PBPK) model was developed to predict the pharmacokinetics of loperamide, a substrate for multidrug resistance 1 (Mdr1) encoded P-glycoprotein (P-gp), in wild-type dogs (WT) and dogs that are homozygous for a base-pair deletion in the Mdr1 gene encoding for P-gp (Mu, Δ-Mdr1).. In vitro-to-in vivo extrapolation (IVIVE) techniques were employed where in vitro data describing loperamide absorption, distribution, metabolism, and elimination (ADME) were extrapolated to in vivo dose exposure predictions.. Importantly, by applying system parameters extrapolated from other breeds and published information on Collie-specific physiology, for the first time, a breed-specific whole-body PBPK model for the Collie was developed.

Derivative Assay:

Article Title: A Bottom-up Approach for Mutant and Wild Type Collies Using Physiologically Based Pharmacokinetic (PBPK) Modeling: A Case Study Using Loperamide.
Article Snippet: A bottom-up physiologically based pharmacokinetic (PBPK) model was developed to predict the pharmacokinetics of loperamide, a substrate for multidrug resistance 1 (Mdr1) encoded P-glycoprotein (P-gp), in wild-type dogs (WT) and dogs that are homozygous for a base-pair deletion in the Mdr1 gene encoding for P-gp (Mu, Δ-Mdr1).. In vitro-to-in vivo extrapolation (IVIVE) techniques were employed where in vitro data describing loperamide absorption, distribution, metabolism, and elimination (ADME) were extrapolated to in vivo dose exposure predictions.. Importantly, by applying system parameters extrapolated from other breeds and published information on Collie-specific physiology, for the first time, a breed-specific whole-body PBPK model for the Collie was developed.

Solubility:

Article Title: Characterizing local and systemic exposure to clobetasol propionate in healthy subjects and patients with atopic dermatitis.
Article Snippet: .. This parameter describes the solubility of the drug in the different phases and is important for defining initial conditions.12 The solubility of CP in the different phases of the formulation is unknown and this value can was tested in scenarios with values between 3.65 and 32.20 For Simcyp Simulator V22, this was a user input parameter and cannot be calculated. ..

Formulation:

Article Title: Characterizing local and systemic exposure to clobetasol propionate in healthy subjects and patients with atopic dermatitis.
Article Snippet: .. This parameter describes the solubility of the drug in the different phases and is important for defining initial conditions.12 The solubility of CP in the different phases of the formulation is unknown and this value can was tested in scenarios with values between 3.65 and 32.20 For Simcyp Simulator V22, this was a user input parameter and cannot be calculated. ..



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Key PBPK modelling steps and components of each clinical study used in model development, refinement, verification and application. BCRP, breast cancer resistance protein; DDI, drug–drug interaction; fu inc , fraction of unbound dersimelagon in in vitro system; K m , Michaelis constant; MAD, multiple ascending dose; OATP, organic anion transporting polypeptide; PBPK, physiologically based pharmacokinetic; PK, pharmacokinetic; QD, once daily; V max , maximum velocity of reaction; V ss , volume of distribution at steady state.

Journal: British Journal of Clinical Pharmacology

Article Title: Physiologically based pharmacokinetic modelling to predict potential drug–drug interactions of dersimelagon (MT‐7117)

doi: 10.1111/bcp.16271

Figure Lengend Snippet: Key PBPK modelling steps and components of each clinical study used in model development, refinement, verification and application. BCRP, breast cancer resistance protein; DDI, drug–drug interaction; fu inc , fraction of unbound dersimelagon in in vitro system; K m , Michaelis constant; MAD, multiple ascending dose; OATP, organic anion transporting polypeptide; PBPK, physiologically based pharmacokinetic; PK, pharmacokinetic; QD, once daily; V max , maximum velocity of reaction; V ss , volume of distribution at steady state.

Article Snippet: All simulations were conducted using the Simcyp PBPK Simulator v21 (Certara), which integrates demographic, physiological, genomic and in vitro biochemical data to allow prediction of PK in virtual healthy populations.

Techniques: In Vitro

Input parameters of the  physiologically based pharmacokinetic  model for dersimelagon.

Journal: British Journal of Clinical Pharmacology

Article Title: Physiologically based pharmacokinetic modelling to predict potential drug–drug interactions of dersimelagon (MT‐7117)

doi: 10.1111/bcp.16271

Figure Lengend Snippet: Input parameters of the physiologically based pharmacokinetic model for dersimelagon.

Article Snippet: All simulations were conducted using the Simcyp PBPK Simulator v21 (Certara), which integrates demographic, physiological, genomic and in vitro biochemical data to allow prediction of PK in virtual healthy populations.

Techniques: Binding Assay, Software, Permeability, In Vitro, Inhibition