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.
Frangulosid as a Novel Hepatitis B Virus DNA Polymerase Inhibitor: A Virtual Screening Study
Hepatitis B virus (HBV) infects more than 400 million humans Worldwide. Currently, development of new anti-HBV agents is focused on inhibiting of HBV DNA polymerase activity. The natural components of…
Discovery PBPK: How to Estimate the Expected Accuracy of ISIVB and IVIVB for New Chemical Entities
PBPK modeling and simulation can be successfully used in the lead optimization phase of drug discovery. Using CLloc, accurate bioavailability can be predicted for new compounds in a chemical series.
Development of Positron Emission Tomography Radiotracers for the GABA Transporter 1
in vivo positron emission tomography (PET) imaging of the γ-aminobutyric acid (GABA) receptor complex has been accomplished using radiolabeled benzodiazepine derivatives, but development of specific…
Predicting mammalian metabolism and toxicity of pesticides in silico
Pesticides must be effective to be commercially viable but they must also be reasonably safe for those who manufacture them, apply them, or consume the food they are used to produce.
Microarray Plate Method for Estimation of Precipitation Kinetics of Celecoxib under Biorelevant Conditions and Precipitate Characterization.
Study methodologies of supersaturated state are fast developing as pharmaceutical industry is adopting supersaturating drug delivery systems (SDDS) to overcome the solubility issue of drugs.
Automated techniques in pKa determination: Low, medium and high-throughput screening methods
Drug discovery programs that generate hundreds of new molecular entities need efficient methodologies for physicochemical profiling.