In vitro to in vivo extrapolation (IVIVE) for next-generation risk assessment (NGRA) of chemicals requires computational modeling and faces unique challenges.
Combination of Gemcitabine with Cell-Penetrating Peptides: A Pharmacokinetic Approach Using In Silico Tools
Gemcitabine is an anticancer drug used to treat a wide range of solid tumors and is a first line treatment for pancreatic cancer.
Toxicity Assessment of Herbal Medicine Using Zebrafish Embryos: A Systematic Review
Herbal remedies have been practiced by humans over centuries and therefore possess time-proven safety.
Synergy Between Two Mechanisms of Action Contributes to Species Differences in the Liver Safety Profile for PF-04895162
The Purpose is to better understand the mechanisms underlying the apparent species differences, between rat and human, when evaluating the liver safety of compound PF-04895162.
Development of a Physiologically Based Pharmacokinetic (PBPK) Model for Intra-articular Delivery
Understanding local concentrations in intra-articular tissues and fluids such as cartilage, synovial membrane, and synovial fluid are a valuable tool to predict potential...
Efavirenz Physiologically Based Pharmacokinetic Model Development and Validation as a Moderate CYP3A4 Inducer for Drug-Drug Interaction Predictions
Efavirenz is an antiretroviral medication used to treat and prevent HIV/AIDS.
The Effect of the Local Tissue Response on the Pharmacokinetics of Long-Acting Injectable Formulations
Modeling consequences of localized chronic inflammation in tissue on drug diffusion and exposure caused by prolonged therapy with long-acting formulations.
Different Perspectives – Informing Drug Development Decision Making Through Complementary M&S Approaches
Although fundamental principles are different between PBPK and population PK approaches, both techniques have been used to study drug disposition during drug development.
Quantitative Systems Toxicology Approaches to Understand and Predict Drug-Induced Liver Injury
The DILI-sim Initiative is a public-private partnership that has applied quantitative systems toxicology modeling to develop software (DILIsym) that has improved mechanistic understanding of DILI.
Mechanistic Dissolution Modeling of a Poorly Soluble Drug; an Evaluation of Formulation Influence and Simulation Parameters for Enhancing Predictive Capability
In early drug development, the selection of a formulation platform and decisions on formulation strategies have to be made...
Case study: PK model development for a multi-dose study (Maryland 2)
The aim of this tutorial is to develop a population PK model for a multiple dosing trial study of a hypothetical test drug used in the...
The development of a population physiologically based pharmacokinetic model for mycophenolic mofetil and mycophenolic acid in humans using data from plasma, saliva, and kidney tissue
Mycophenolic acid (MPA) is used widely to prevent graft rejection in kidney‐transplant patients.
Prediction of Oral Bioavailability in Rats: Transferring Insights from in Vitro Correlations to (Deep) Machine Learning Models Using in Silico Model Outputs and Chemical Structure Parameters
Oral administration of drug products is a strict requirement in many medical indications.
GastroPlus® v9.7 Patch
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GastroPlus® v9.7 Patch Installation
We provide patches in between major releases to address issues reported in the current version.
Simulations Plus to Support Development of Radiation Countermeasure via New QSP Platform (RADAsym) and Pharmacometrics Modeling
QSP and Pharmacometric Strategies Used to Aid Lifesaving Therapy for ARS
Case study: PK model development and covariate exploration (Maryland 1)
The aim of this tutorial is to develop a population PK model and explore covariate relationships of a hypothetical test drug used in the treatment of atrial fibrillation.
Pharmacokinetic basis for dosing high-dose methotrexate in infants and young children with malignant brain tumours
No population pharmacokinetic studies of high‐dose methotrexate (HDMTX) have been conducted in infants with brain tumours, which are a vulnerable population.
Population pharmacokinetics of orally administrated bromopride: Focus on the absorption process
Bromopride is a prokinetic and antiemetic drug used to treat nausea and vomiting.
Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines
The acid–base dissociation constant, pKa, is a key parameter to define the ionization state of a compound and directly affects its biopharmaceutical profile.