The high-throughput implementation of PBPK simulation in ADMET Predictor yields results in good agreement with analogous analyses in GastroPlus. HTPK simulations run using purely in silico property…
Food Effect Projections via Physiologically Based Pharmacokinetic Modeling: Predictive Case Studies
Food can alter the absorption of orally administered drugs. Biopharmaceutics physiologically based pharmacokinetic (PBPK) modeling offers the possibility to simulate a compound's pharmacokinetics under fasted or fed states.
A Modified In Situ Method to Determine Release from a Complex Drug Carrier in Particle-Rich Suspensions
Effective and compound-sparing methods to evaluate promising drug delivery systems are a prerequisite for successful selection of formulations in early development stages. The aim of the study was to develop…
Physiologically Based Absorption Modeling of Salts of Weak Bases Based on Data in Hypochlorhydric and Achlorhydric Biorelevant Media.
Physiologically based absorption modeling has been attracting increased attention to study the interactions of weakly basic drug compounds with acid-reducing agents like proton-pump inhibitors and H2 blockers.
ADMET Predictor 9™ Release Webinar: Streamline Your Drug Design with ADMET Predictor 9!
We are pleased to announce the release of ADMET Predictor™ 9! Significant enhancements have been made to the HTPK Simulation, MedChem Studio™, and ADMET Modeler™ modules.
New Omic and Network Paradigms for Deep Understanding of Therapeutic Mechanisms for Fangji of Traditional Chinese Medicine
Combination therapy with multi-drug regimen as an integrated intervention of several pharmacological compounds that interact with multiple targets, rather than monotherapy using a single compound that…
Improving Interpretation of New and Old Serum Biomarkers of Drug-Induced Liver Injury Through Mechanistic Modeling
The study by Mason et al. in this issue used mechanistic modeling and simulation to address how both the dose of acetaminophen consumed and the time since ingestion can be estimated from biomarkers measured in a single serum sample in mice.
An in vitro – in silico approach for the formulation and characterization of ranitidine gastroretentive delivery systems
Contemporary trends in the pharmaceutical development emphasize the utility of advanced computer tools to facilitate formulation of new medicines.
Whole-body physiology-based pharmacokinetics of caspofungin for general patients, intensive care unit patients and hepatic insufficiency patients
Caspofungin is an echinocandin antifungal agent licensed as a first-line therapy for invasive candidiasis in patients with moderate to severe illness or recent exposure to azoles.
Population Pharmacokinetic Modeling of Fremanezumab in Support of Phase 3 Development for Patients with Migraine
Calcitonin gene-related protein (CGRP) is a well-studied neuropeptide that plays an important role in the pathophysiology of migraines, both centrally and peripherally.1,2 Jugular levels of CGRP are increased...
Data Exploration Libraries in KIWI
The cloud-based KIWI™ platform is an enterprise-scale application supporting the execution, management, and communication of modeling and simulation activities. Exploration of analysis datasets and model…
Data Repository to Enable Organization and Collaboration for Pharmacometric Analysis
Interdisciplinary research teams encounter both logistical and technical challenges during collaborative pharmacometric analyses projects, especially teams with significant geographic distributions.
Preclinical Bioavailability Strategy for Decisions on Clinical Drug Formulation Development: An In Depth Analysis
The aim of the presented retrospective analysis was to verify whether a previously proposed Janssen Biopharmaceutical Classification System (BCS)-like decision tree, based on preclinical bioavailability data of a solution and suspension formulation...
A Preclinical Bioavailability Strategy for Decisions on Clinical Drug Formulation Development: an In Depth Analysis
The aim of the presented retrospective analysis was to verify whether a previously proposed Janssen Biopharmaceutical Classification System (BCS)-like decision tree, based on preclinical bioavailability...
Synthesis and Molecular Drug Efficacy of Indoline‐based Dihydroxy‐thiocarbamides: Inflammation Regulatory Property Unveiled over COX‐2 Inhibition, Molecular Docking, and Cytotoxicity Prospects
In this study, substituted indoline‐based dihydroxy‐carbamides (5a–i) were synthesized and evaluated as the cyclooxygenase‐2 (COX‐2) inhibitors to testify their inflammatory regulations through COX‐2 inhibition.
Simulations Plus Releases GastroPlus™ Version 9.6
Significant improvements support internal research activities through regulatory interactions
Does GastroPlus Support Similarity and Dissimilarity Factors of in vitro-in vivo Prediction in Biowaiver Studies? A Lower Strength Amlodipine As a Model Drug
Many generic pharmaceutical products are currently available on the market place worldwide.
β-CD-Catalyzed Multicomponent Domino Reaction: Synthesis, Characterization, in silico Molecular Docking and Biological Evaluation of pyrano[2,3-d]-pyrimidinone Derivatives
Simple and green synthetic procedures constitute an important goal in organic synthesis. The combination of multicomponent reactions (MCRs) and unconventional solvents has become a new research…
State-of-the-Art Review on Physiologically Based Pharmacokinetic Modeling in Pediatric Drug Development
Physiologically based pharmacokinetic modeling and simulation is an important tool for predicting the pharmacokinetics, pharmacodynamics, and safety of drugs in pediatrics.