Sustained activation of AhR is the molecular initiating event (MIE) in several adverse outcome pathways (AOPs)1: Lethality to fish and bird embryos, Causing uroporphyria in birds, Producing liver tumors in...
Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation Approaches: A systematic review of published models, applications and model verification
Modeling and simulation of drug disposition has emerged as an important tool in drug development, clinical study design and regulatory review, and the number of physiologically based pharmacokinetic (PBPK) modeling...
Comparison of Deconvolution-Based and Absorption Modeling IVIVC for Extended Release Formulations of a BCS III Drug Development Candidate
In vitro-in vivo correlations (IVIVC) are predictive mathematical models describing the relationship between dissolution and plasma concentration for a given drug compound.
Assessment of In Vivo Clinical Product Performance of a Weak Basic Drug by Integration of In Vitro Dissolution Tests and Physiologically Based Absorption Modeling
Effective integration of in vitro tests and absorption modeling can greatly improve our capability in understanding, comparing, and predicting in vivo performances of clinical drug products.
A Study on in-silico Analysis of Phytochemicals targeting the proteins of Hepatitis B and C Virus
Compounds from three medicinal plants effective against hepatitis B and C were selected based on literature review for docking studies.
Using Cheminformatics in Drug Discovery
This chapter illustrates how cheminformatics can be applied to designing novel compounds that are active at the primary target and have good predicted ADMET properties.
Establishment of physiologically based pharmacokinetic model of atorvastatin
To develop aphysiologically based pharmacokinetic model of atorvastatin for predicting tissue distribution features of atorvastatin in body under healthy conditions,provide a basis for optimal...
Mechanistic Absorption and Physiologically Based Pharmacokinetic Modeling of Itraconazole and Its Application for Drug-Drug Interaction with Midazolam in Adult Populations
Itraconazole (ITZ) is a BCS Class II triazole antifungal (Sporanox; Janssen Pharmaceutica, Titusville, NJ). It is a substrate and potent inhibitor of CYP3A4. The primary metabolite hydroxy-itraconazole...
Application of PBPK Modeling to Predict Monoclonal Antibody Disposition after Intravenous and Subcutaneous Administration in Rats and Humans
Therapeutic monoclonal antibodies (mAbs) represent a growing segment of the development pipeline in the pharmaceutical industry. Physiologically based pharmacokinetic (PBPK) modeling has been extensively...
Physiologically Based Pharmacokinetic (PBPK) Model for Prediction of Vancomycin Pharmacokinetics in Children
Ethical considerations prevent extensive clinical trials in pediatric populations; however, with the use of PBPK modeling, in vivo data from adults can be used to explore the mechanisms of drug...
Mathematical Model-Based Accelerated Development of Extended-release Metformin Hydrochloride Tablet Formulation
A computational fluid dynamic (CFD) model was developed to predict metformin release from a hydroxypropylmethylcellulose (HPMC) matrix-based extended-release formulation that took...
Single-dose, Multiple-dose, and Population Pharmacokinetics of SUN13837 Injection, a Basic Fibroblast Growth Factor Mimic in Healthy Subjects
SUN13837, a novel small molecule in development for the treatment of acute spinal cord injury and stroke with biological activities similar to basic fibroblast growth factor (bFGF) promotes cellular…
Discovery of novel S1P2 antagonists. Part 2: Improving the profile of a series of 1,3-bis (aryloxy) benzene derivatives
Our initial lead compound 2 was modified to improve its metabolic stability. The resulting compound 5 showed excellent metabolic stability in rat and human liver microsomes.
Simulations Plus to Launch Major New Software Product
PKPlus™ Will Provide Analysis Capability Required for Regulatory Submissions
Discovery of New Scaffolds from Approved Drugs as Acetylcholinesterase Inhibitors
Acetylcholinesterase inhibitors (AChEIs) are considered to be one of the most successful therapeutic strategies in the treatment of Alzheimer's disease (AD).
Applications of customized GastroPlus™ models
This GastroPlus™ User Group video explores how the ACAT model, with customized refinement of the model parameters or design of the model structure, can provide valuable insights to address various aspects of...
Clinical and Translational Assessment of VEGFR1 as a Mediator of the Premetastatic Niche in High-Risk Localized Prostate Cancer
Preclinical studies have suggested that VEGFR1-positive cells potentially foster the development of metastases by establishing a "premetastatic niche."
Physicochemical and Pharmacokinetic Characterization of Amorphous Solid Dispersion of Meloxicam with Enhanced Dissolution Property and Storage Stability
The aim of the present study was to develop amorphous solid dispersion (ASD) of meloxicam (MEL) for providing rapid onset of action.
Physiologically Based Pharmacokinetic Modeling of Rosuvastatin and Prediction of Transporter-Mediated Drug-Drug Interactions Involving Gemfibrozil
Rosuvastatin (Crestor®) is a commonly prescribed lipid-lowering agent from the statin drug class for the treatment of primary hyperlipidemia and hypertriglyceridemia. It may be coprescribed with...