Cancer is a significant global health challenge and the second leading cause of death worldwide, responsible for millions of fatalities annually.
Supramolecular Organogels Based on Cinnarizine as a Potential Gastroretentive System: In Vitro and In Silico Simulations
Gastroretentive systems are an interesting option for enhancing the bioavailability of weak bases and poorly soluble drugs.
Exploration of IVIVC Deconvolution Methods in a PBPK Platform: Case Example with Tofacitinib
Modified-release (MR) drug products are designed to provide controlled drug delivery over time, offering therapeutic and compliance advantages.
Oral Pro‑Transferosome Tablets of Carica papaya Leaf Extract: Box–Behnken Optimization and In Silico Mechanistic Insights for Dengue‑Associated Thrombocytopenia
Carica papaya L. leaf extract has long been recognized for its therapeutic potential in dengue-associated thrombocytopenia through enhancement of platelet production and inhibition of dengue viral proteases.
Comprehensive PBPK Evaluation of Phenytoin and Indomethacin: Dose, Age, Pregnancy and Drug–Drug Interaction Insights
Understanding the pharmacokinetics (PK) of antiepileptic and anti-inflammatory drugs under different physiological conditions is essential for optimizing therapy.
Descriptor-First Approach for ADMET Prediction in the PolarisHub Antiviral Challenge
The prediction of absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties remains a central bottleneck in small-molecule discovery.
Mechanistic Modeling of Intramuscular Administration of a Long-acting Injectable Accounting for Tissue Response At the Depot Site
The tissue response to long-acting injectables (LAIs) suspension injection may impact the product in vivo performance.
Development of an Improved Dissolution Testing Method as an Alternative to Animal Testing
This study aimed to evaluate the potential of an improved flow-through cell dissolution method as an alternative to animal testing for predicting the in vivo behavior of immediate-release formulations.
Exploring Artificial Intelligence’s Potential to Enhance Conventional Anticancer Drug Development
Cancer affects one in three to four people globally, with over 20 million new cases and 10 million deaths annually, projected to rise to 35 million cases by 2050. Developing effective cancer treatments is crucial, but the drug discovery process is a highly complex and expensive endeavor, with success rates sitting well below 10% for oncologic therapies
Mechanistic Pharmacokinetic Models for Inhaled Drug Development: Pulmonary Physiological and Structural Characteristics and Modeling Approaches
Pulmonary drug delivery via inhalation offers significant clinical benefits including rapid onset of action and targeted drug administration, which minimizes systemic adverse effects.
Simulated Pharmacokinetic Compatibility of Tamoxifen and Estradiol: Insights from a PBPK Model in Hormone-Responsive Breast Cancer
Although traditionally contraindicated, the coadministration of tamoxifen and estradiol may hold clinical relevance in specific contexts, particularly in breast cancer survivors with premature menopause...
Whole-Body Disposition and Metabolism of [14C]-2,4,4′-Trichlorobiphenyl (PCB28) Following Lung Administration in Rats
Toxicities of lower-chlorinated biphenyls (LC-PCBs) have drawn increasing attention due to growing evidence of their presence in school indoor air, with 2,4,4′-trichlorobiphenyl (PCB28) being a prevalent congener.
Novel Workflow for Non-Animal PBK Modelling of UV Filters: Oxybenzone as a Case Study
Physiologically based kinetics (PBK) modelling provides (internal) exposure concentrations. We used a PBK model parameterized exclusively with in silico and in vitro data in a bottom-up approach to predict the pharmacokinetics of oxybenzone, a UV filter, present in two formulations (for which dose-normalized Cmax and AUC from clinical studies were different).
Emerging Perspectives on Leveraging Physiologically Based Biopharmaceutics Modeling (PBBM) for BCS Class III Biowaivers: a Webinar Summary
The regulatory framework for Biopharmaceutics Classification System (BCS) class III drug products provides a pathway for streamlined biowaivers in drug development, eliminating the need for expensive...
QSAR-based Physiologically Based Pharmacokinetic (PBPK) Modeling for 34 Fentanyl Analogs: Model Validation, Human Pharmacokinetic Prediction and Abuse Risk Insights
Fentanyl analogs, as emerging new psychoactive substances (NPS), pose a global public health threat due to widespread abuse, high toxicity, and frequent overdose fatalities.
Development of Co-Amorphous Systems for Inhalation Therapy—Part 2: In Silico Guided Co-Amorphous Rifampicin–Moxifloxacin and –Ethambutol Formulations
Tuberculosis (TB) remains a global health challenge due to long treatment durations, poor adherence, and growing drug resistance. Inhalable co-amorphous systems (COAMS) offer a promising strategy for targeted pulmonary delivery...
Formulation and Evaluation of Poly(Jasmine Lactone) Based Micelles for Improving the Oral Permeability of Acyclovir
Acyclovir (ACV), an antiviral drug, belongs to the BCS class III drug with intermediate solubility and low permeability.
Simulation-Guided Dissolution Testing: Coupling DDDPlus™ and GastroPlus® to Predict Aripiprazole Oral Bioperformance
Orally administered weakly basic compounds like aripiprazole (ARI) can precipitate in the small intestine due to limited solubility at intestinal pH.
Sensitivity Analysis of the Inputs for Bioactivity-Exposure Ratio Calculations in a NAM-based Systemic Safety Toolbox
To support regulatory decision-making without animal testing, Next-Generation Risk Assessment (NGRA) frameworks leverage New Approach Methodologies (NAM).
Applications of PBPK Models to Predict Tissue Residues and Extralabel Withdrawal Times of Drugs in Food Animals: Perspectives from the Food Animal Residue Avoidance Databank (FARAD) Program
Physiologically based pharmacokinetic (PBPK) models are commonly used in human drug discovery and development and human health risk assessment of environmental chemicals.