The number of drug-drug interaction (DDI) clinical trials in China has increased rapidly in recent years.
Unveiling the Phenolic Profiling of Moroccan Ferula communis L. Fruits: A Combination of In Silico and In Vivo Protective Effect Against Methotrexate-Induced Hepato-Renal Dysfunction
Methotrexate (MTX) is associated with several side effects, including hepatic and renal toxicities, which limit its effectiveness as an anticancer medication.
Molluscicidal and Schistosomicidal Activities of 2-(1H-Pyrazol-1-yl)-1,3,4-thiadiazole Derivatives
Schistosomiasis is caused by flatworms of the genus Schistosoma, for which mollusks of the genus Biomphalaria are intermediate hosts.
Longitudinal Model-Based Meta-Analysis (MBMA) Comprehensive MonolixSuite Tutorial with Case Studies
Model-based meta analysis (MBMA) informs key drug development decisions by integrating data, published or unpublished, from multiple studies.
Clustering of Environmental Compounds Based on Structure and Toxicokinetic Properties
Traditional toxicokinetic (TK) models rely heavily on in vivo data, necessitating animal testing. At the same time, the scientific toolbox is expanding with new approach methodologies (NAMs) that do not rely on TK studies.
Leveraging Omeprazole PBPK/PD Modeling to Inform Drug–Drug Interactions and Specific Recommendations for Pediatric Labeling
Omeprazole is widely used for managing gastrointestinal disorders like GERD, ulcers, and H. pylori infections.
Physiologically Based Pharmacokinetic Models for Infliximab, Ipilimumab, and Nivolumab Developed with GastroPlus to Predict Hepatic Concentrations
Infliximab, ipilimumab, and nivolumab are three monoclonal antibodies that have been associated with hepatotoxicity.
Mastering DDI Risk Assessment: Predict CYP enzyme-mediated DDIs with confidence
Understanding and predicting drug-drug interactions (DDIs) is crucial for ensuring patient safety and improving drug product development strategies.
Simulations Plus to Present at the KeyBanc Capital Markets Virtual Healthcare Investor Forum
Simulations Plus will be participating in a fireside chat at the KeyBanc Capital Markets Virtual Healthcare Investor.
RSM and AI Based Machine Learning for Quality by Design Development of Rivaroxaban Push-Pull Osmotic Tablets and its PBPK Modeling
The study is based on applying Artificial Neural Network (ANN) based machine learning and Response Surface Methodology (RSM) as simultaneous bivariate approaches in developing controlled-release rivaroxaban (RVX) osmotic tablets.
A Physiologically Based Pharmacokinetic Model of an Oral Tyrosine Kinase 2 Inhibitor Deucravacitinib in Healthy Adults
This study presents the first physiologically based pharmacokinetic (PBPK) model for deucravacitinib, a novel oral selective tyrosine kinase 2 (TYK2) inhibitor approved for treating moderate-to-severe plaque psoriasis.
Breaking Barriers in PROTAC Design: Improving Solubility of USP7-Targeting Degraders
The development of von Hippel–Lindau (VHL) hijacking proteolysis-targeting chimeras (PROTACs) has been hindered by suboptimal physicochemical properties, including high total polar surface area (TPSA), high hydrogen bond donor (HBD) counts, and poor solubility.
The Sooner, the Better: Early Drug Development Predictions to Assist in Prioritization of Drug Candidates and Resources
As the adage goes, “time is money,” and the drug development pipeline is no exception. Separately, both “time” and “money” are crucial considerations at every stage of drug development
Modeling Carbon Basicity
This work presents a predictive model of aqueous ionization constants (pKa) of protonatable carbons in certain aromatic rings.
Next Generation Risk Assessment of Hair Dye HC Yellow no. 13: Ensuring Protection from Liver Steatogenic Effects
This study employs animal-free Next Generation Risk Assessment (NGRA) principles to evaluate the safety of repeated dermal exposure to 2.5% (w/w) HC Yellow No. 13 (HCY13) hair dye.
Leveraging Model Master Files from a Technology Company Perspective: Facilitating Quantitative Medicine in Regulatory Frameworks
Model Master Files (MMFs) offer a much needed approach to integrating computational modelling into drug development and regulatory frameworks, supporting the growth of quantitative medicine.
Assessment of Liver Injury Potential of Investigational Medicines in Drug Development
Drug-induced liver injury (DILI) is rare in clinical practice but when it occurs it can lead to acute liver failure and death. Drug developers and regulators undertake a series of steps to identify the DILI potential of a medication before it is approved for marketing.
High-Performance PBPK Model for Predicting CYP3A4 Induction-Mediated Drug Interactions: A Refined and Validated Approach
The cytochrome P450 enzyme 3A4 (CYP3A4) mediates numerous drug-drug interactions (DDIs) by inducing the metabolism of co-administered drugs, which can result in reduced therapeutic efficacy or increased toxicity.
Decoding PBPK & PBBM: What You Need to Know for Effective Application
In the complex world of R&D, acronyms like PBPK and PBBM often seem interchangeable—but they're not.