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.
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.
Hepatotoxicity Evaluation of Levornidazole and Its Three Main Impurities: Based on Structure–Toxicity Classification Prediction Combined with Zebrafish Toxicity Assessment
Levornidazole, a nitroimidazole compound, has been linked to hepatotoxic adverse effects in clinical settings.
AP Transporters Module Flyer
Transporters Module enables data-driven decision-making by leveraging AI/machine learning (ML) models trained on premium experimental datasets.
Hansen Solubility Parameters, Computational, and Thermodynamic Models for Tofacitinib Citrate Solubility in Neat Mono Solvents, and GastroPlus Based Predicted In Vivo Performance of Subcutaneous Solution in Humans
We investigated the experimental solubility of tofacitinib citrate (TNF) in HSPiP predicted mono solvents at varied temperature points, followed by validation with various models (computational and thermodynamic) and GastroPlus based predicted in-vivo performance in individuals (adult humans).
Physiologically Based Pharmacokinetic Model for Oxcarbazepine Active Metabolite to Predict Pharmacokinetics in Paediatric Patients with Renal Impairment and Adjust Dosages
Oxcarbazepine (OXC) has been approved as monotherapy or adjunctive therapy for paediatric partial seizures.
Roles of Supersaturation and Liquid–Liquid Phase Separation for Enhanced Oral Absorption of Poorly Soluble Drugs from Amorphous Solid Dispersions
Amorphous solid dispersion (ASD) is one of the most important enabling formulation technologies for the development of poorly soluble drugs.
Molecular Precision Medicine: Application of Physiologically Based Pharmacokinetic Modeling to Predict Drug–Drug Interactions Between Lidocaine and Rocuronium/Propofol/Paracetamol
The perioperative period, encompassing preoperative, intraoperative, and postoperative phases, is crucial for comprehensive patient care.
Understanding the FDA’s Draft Guidance on Artificial Intelligence to Support Regulatory Decision-Making
The pharmaceutical industry is on the brink of a transformative shift, with artificial intelligence (AI) increasingly being leveraged across the drug product lifecycle.
DDI Risk Assessment to Inform Your Label Optimize Your Program Timeline & Budget with PBPK Modeling
Every day, scientists in the pharmaceutical industry are tasked with meeting regulatory expectations while also minimizing budget spend by identifying efficiencies for faster development of safer, more effective drugs.
Regulation of Adipocyte Differentiation and Lipid Metabolism by Novel Synthetic Chromenes Exploring Anti-obesity and Broader Therapeutic Potential
Obesity poses a significant global health challenge, necessitating the search for novel therapeutic agents to address this epidemic.
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
Acetaminophen (APAP) has been formulated as immediate-, modified-, and extended-release tablets (APAP-IR, -MR, and -ER, respectively).
Avocado Fruit Peel as a Source of Antidiabetic drugs: Evidence from Molecular Docking Studies and ADMET Profiling
Diabetes mellitus is a long-term metabolic disorder characterized by persistent hyperglycemia, which can lead to various health problem if left untreated.