Glyoxylic acid (GA), the active ingredient of heat-activated hair straightening products (GHSPs) has been discussed in the context of acute kidney injury (AKI) via oxalic acid (OA) crystal formation and of heat-decomposition resulting in release of formaldehyde.
A Multivariate Ann-CCD Integrative Model Using Cellulose Based Polymers for the Development of Osmotically Controlled Push-Pull Dexibuprofen Tablets and Its Predictive Pharmacokinetic Modeling
The biocompatible macromolecules play a pivotal role in enhancing the performance of various drug delivery systems.
In Silico Predictions for ADME and Toxicology
Advances in computational modeling are transforming how scientists predict a compound’s Absorption, Distribution, Metabolism, Excretion, and Toxicology (ADMET) profiles.
In Silico Toxicokinetics
Absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling is a major driver of drug success, controlling pharmacokinetic behavior, therapeutic effectiveness, and safety.
In Silico Prediction of Solubility, Permeability, and Metabolism
This chapter presents a comprehensive review of in silico techniques for the prediction of solubility, permeability, and metabolism—critical determinants of drug candidates’ pharmacokinetic and safety profiles during drug discovery and development.
Physiologically Based Pharmacokinetic Modeling of Cefotaxime To Inform Pediatric Dosing in Renal Impairment
Cefotaxime (CFT) is a broad spectrum, third-generation cephalosporin antibiotic prescribed for the treatment of severe infections, yet dosing guidelines for pediatric with renal impairment is scarce.
Why Next-Generation Mechanistic Models will Transform Drug Discovery: Integrating Efficacy and Safety
Drug discovery remains constrained by high attrition rates and the fragmented evaluation of exposure, efficacy, and safety.
Animal-Free Skin Sensitization Testing: In Chemico and In Silico Integrated Approach
The increasing prohibition of animal testing for cosmetic products has driven the development of alternative approaches to ensure consumer safety.
In vitro Drug-Like Properties Evaluation of the New Positive Allosteric Modulators of EAAT2 Glutamate Transporter
Evaluation of drug-like properties in vitro is critical in identifying viable candidates for new central nervous system (CNS) drugs.
Physiologically Based Pharmacokinetic and Drug–Drug Interaction Modeling of Efavirenz, Etravirine, and Saquinavir in Prostate Cancer
Prostate cancer remains one of the most prevalent malignancies worldwide, with high mortality in advanced and metastatic stages.
2025 AAPS 360 Annual Meeting: Highlights in In Vitro Release and Dissolution Testing and Oral Biopharmaceutics Modeling
This manuscript highlights key sessions from the In Vitro Release and Dissolution Testing (IVRDT) and Oral Biopharmaceutics and Absorption Modeling (OBAM) communities at the 2025 AAPS PharmSci 360 Annual Meeting (November 9–12, San Antonio, TX).
Model-Based Virtual Clinical Trial Reveals Renal Impairment and Body Size as Key Determinants of Pharmacokinetic Variability and Drug-Drug Interaction Risk in Propranolol Therapy
Propranolol (PROP) is a non-selective β-blocker widely prescribed for cardiovascular and neurological disorders.
Impact of Preclinical Verification in Physiologically Based Pharmacokinetic Modelling for First-in-Human Predictions: Application of a Published Model Building Strategy for Five Compounds
Physiologically based pharmacokinetic modelling is routinely used in the pharmaceutical industry and has an impact on drug labels.
Pulmonary Physiological-Based Pharmacokinetic (PBPK) Modeling for Clinical Systemic and Regional PK Prediction of Inhaled Nintedanib Drug Products
Nintedanib (Nint), a tyrosine kinase inhibitor, is approved by the FDA for the treatment of idiopathic pulmonary fibrosis (IPF) by administration as an oral tablet.
Mechanistic PBPK Modeling Identifies Oral Microenvironment Determinants of Buccal Midazolam Exposure
Buccal drug delivery relies on prolonged mucosal contact for absorption, sensitive to interindividual chemical and physical variability within the oral microenvironment (Hua, 2019; Shipp et al., 2022).
Development of a Physiologically Based Pharmacokinetic (PBPK) Simulation Model for Nicotine
Tobacco is a major cause of chronic diseases such as lung cancer, cardiovascular disease, and chronic obstructive pulmonary disease worldwide.
Translating In Vitro Mechanistic Findings to In Vivo Toxicity Outcomes: A Case Study of Usnic Acid Hepatotoxicity
New Approach Methodologies (NAMs) utilizing cellular models provide mechanistic insight into chemical hazards, but their utility in human health risk assessment depends on demonstrating how effectively in vitro findings translate to real-world outcomes
Advancing Pharmacoequity in Low- and Middle-Income Countries via Model Informed Drug Development
Across low- and middle-income countries (LMICs) inequities in access to safe, effective medicines persist due to limited regulatory capacity, inadequate financing, and insufficient local data.
Physiologically Based Pharmacokinetic Modeling to Predict Human Pharmacokinetics of a Novel Mithramycin Analog for Ewing Sarcoma
To develop and verify a physiologically based pharmacokinetic (PBPK) modeling strategy for mithramycin (MTM) and its analog, MTMSA-Trp, with the aim of projecting first-in-human plasma pharmacokinetics and supporting the translational development of MTMSA-Trp for Ewing sarcoma treatment.
Reproductive Toxicity of Fructus Psoraleae in Zebrafish: Material Basis and Implications for Clinical Safety Dosing
Fructus psoraleae (FP), a classical TCM with a medicinal history spanning several millennia, is esteemed for its therapeutic properties in regulating Qi, alleviating asthma, tonifying kidneys and reinforcing Yang.