In drug development, the science never stands still. Constant research means there is constantly more to know and understand to stay current—but how can you filter through to what is most impactful?
One option is to read what your peers are consuming. That’s why we’ve aggregated the 10 most-read journal articles from our resource center from 2025, all in one place for your easy reading. Together, these articles reflect the real-world modeling and simulation topics teams like yours leaned on last year—from DDI prediction to formulation optimization and special population dosing.
Read on for a curated snapshot of research that will help shape drug development in 2026.
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Role of Physiologically Based Biopharmaceutics Modeling in Predicting and Circumventing the Drug-Drug Interactions of Tyrosine Kinase Inhibitors with Acid-Reducing Agents
This paper shows how physiologically based biopharmaceutics modeling (PBBM) can predict — and help circumvent — acid-reducing agent interactions for TKIs like dasatinib, bosutinib, and gefitinib, including formulation strategies to protect exposure.
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RSM and AI Based Machine Learning for Quality by Design Development of Rivaroxaban Push-Pull Osmotic Tablets and its PBPK Modeling
What if you could narrow to the optimal controlled-release formulation with fewer iterations?
This study combines CCD + ANN/RSM to identify an optimized rivaroxaban osmotic tablet formulation, then uses GastroPlus™ PBPK modeling to translate the predicted release profile into expected fed/fasted PK.
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Physiologically Based Pharmacokinetic Models for Infliximab, Ipilimumab, and Nivolumab Developed with GastroPlus to Predict Hepatic Concentrations
Plasma PK is only half the story when liver injury is the risk signal.
The authors built large-molecule PBPK models in GastroPlus® for infliximab, ipilimumab, and nivolumab to estimate hepatic concentrations, supporting deeper hepatotoxicity investigations and more informed safety assessments.
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A Physiologically Based Pharmacokinetic Model of an Oral Tyrosine Kinase 2 Inhibitor Deucravacitinib in Healthy Adults
This work presents the first PBPK model for deucravacitinib built in GastroPlus®, capturing multiple clearance routes and enterohepatic circulation — a strong example of how mechanistic simulation helps de-risk dosing and special population questions early.
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Design and Development of Sulfenylated 5-Aminopyrazoles as Inhibitors of Acetylcholinesterase and Butyrylcholinesterase: Exploring the Implication for Aβ1–42 Aggregation Inhibition in Alzheimer’s Disease
Researchers developed sulfenylated aminopyrazoles with strong AChE/BuChE inhibition and encouraging Aβ1–42 aggregation results, highlighting multi-mechanism small-molecule design strategies for neurodegeneration.
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Advances in Physiologically Based Pharmacokinetic (PBPK) Modeling and its Regulatory Utility to Support Oral Drug Product Development and Harmonization
PBPK is no longer “extra credit” — it’s a standard and expected part of the drug development process.
This workshop report covers progress, gaps, and practical solutions for PBPK absorption modeling to support oral product development and global harmonization, with a spotlight on complex generics and GI-acting products.
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Physiologically Based Pharmacokinetic Model for Oxcarbazepine Active Metabolite to Predict Pharmacokinetics in Pediatric Patients with Renal Impairment and Adjust Dosages
Pediatric renal impairment studies are rare, which can make dosing decisions for this patient population challenging.
This article explains how a PBPK model was used to predict exposure of oxcarbazepine’s active metabolite in children with renal impairment and offer simulation-based dosing adjustment guidance when clinical trial data are limited.
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Modeling and Simulation of Acetaminophen Pharmacokinetics and Hepatic Biomarkers After Overdoses of Extended-Release and Immediate-Release Formulations in Healthy Adults Using the Quantitative Systems Toxicology Software Platform DILIsym
Clinicians and developers need to know whether ER vs IR formulation differences translate into meaningfully different overdose risk signals.
Researchers updated the IR model and built an ER model in DILIsym®, then simulated acute and repeated supratherapeutic ingestion scenarios—showing ER’s lower absorption slightly reduces exposure on average, but doesn’t dramatically alter expected concentration profiles or hepatotoxicity biomarker trajectories.
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Trends in Drug-Drug Interactions for New Drug Clinical Trials in China Over the Past 10 Years (2013–2022)
If you run global trials, you need to understand China’s DDI landscape.
This analysis shows China’s DDI clinical trials have ramped up sharply (especially post-2017), mapping what’s being studied and how the DDI evidence package is evolving for new drugs.
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Utilizing Physiologically Based Pharmacokinetic Models to Support Rational Medication in Chinese Elderly Population
Dosing guidance shouldn’t be guesswork — especially with polypharmacy risk.
PBPK models were developed for ~50 commonly used drugs in Chinese elderly populations, helping fill key data gaps and generating dosing recommendations (including for neuropsychiatric drugs) to support safer medication decisions.
If there was one clear theme across this year’s most-read papers, it’s the shift from reactive development to predictive decision-making. Whether the topic was DDI risk, formulation strategy, special populations, or liver safety, the common thread was using validated PBPK/PBBM and toxicity modeling to answer the hard questions earlier—when there’s still time to act.
That’s exactly where our solutions can help: predictions to drive practical decisions, with more confidence and fewer late-stage surprises.
If you’d like to learn more about any of the software tools featured in these articles, we’d be happy to chat.