Abuse of analgesic and sedative drugs often leads to severe respiratory depression and sometimes death.
Construction and Verification of Physiologically Based Pharmacokinetic Models for Four Drugs Majorly Cleared by Glucuronidation: Lorazepam, Oxazepam, Naloxone, and Zidovudine
Physiologically based pharmacokinetic (PBPK) modeling is less well established for substrates of UDP-glucuronosyltransferases (UGT) than for cytochrome...
The Influence of Structural Patterns on Acute Aquatic Toxicity of Organic Compounds
Investigation of the influence of molecular structure of different organic compounds on acute toxicity towards Fathead minnow..
Quantitative Systems Toxicology Analysis of In Vitro Mechanistic Assays Reveals Importance of Bile Acid Accumulation and Mitochondrial Dysfunction in TAK-875-Induced Liver Injury
TAK-875 (fasiglifam), a GPR40 agonist in development for the treatment of type 2 diabetes (T2D), was voluntarily terminated in Phase III trials due to..
First in class (S,E)-11-[2-(arylmethylene)hydrazono]-PBD analogs as selective CB2 modulators targeting neurodegenerative disorders
Newly designed pyrrolo[2,1-c][1,4]benzodiazepines tricyclic skeleton has shown potential clusters of cannabinoid receptors CB1/CB2 selective ligands.
Successful Extrapolation of Paracetamol Exposure from Adults to Infants After Oral Administration of a Pediatric Aqueous Suspension Is Highly Dependent on the Study Dosing Conditions
Extending licensed drug use to the pediatric population has become an essential part of the drug development process.
Application of PBPK Modeling and Simulation for Regulatory Decision Making and Its Impact on US Prescribing Information: An Update on the 2018-2019 Submissions to the US FDA’s Office of Clinical Pharmacology
Since 2016, results from physiologically based pharmacokinetic (PBPK) analyses have been routinely found in the clinical pharmacology section of regulatory.
Use of Physiologically Based Pharmacokinetic (PBPK) Modeling for Predicting Drug-Food Interactions: an Industry Perspective
The effect of food on pharmacokinetic properties of drugs is a commonly observed occurrence affecting about 40% of orally administered drugs.
Using chemical structure information to develop predictive models for in vitro toxicokinetic parameters to inform high-throughput risk-assessment
The toxicokinetic (TK) parameters fraction of the chemical unbound to plasma proteins and metabolic clearance are critical for relating exposure and internal...
Potential Modulation of Human NAD[P]H-Quinone Oxidoreductase 1 (NQO1) by EGCG and Its Metabolites—A Systematic Computational Study
At high doses, green tea extracts and green tea’s major active constituent, (−)-epigallocatechin gallate (EGCG), despite their generally perceived...
A Potent and Selective Human Prostaglandin F (FP) Receptor Antagonist (BAY-6672) for the Treatment of Idiopathic Pulmonary Fibrosis (IPF)
Idiopathic pulmonary fibrosis (IPF) is a rare and devastating chronic lung disease of unknown etiology.
In Vitro Biopredictive Methods: A Workshop Summary Report
This workshop report summarizes the proceedings of Day 1 of a three-day workshop on “Current State and Future Expectations of Translational Modeling...
Qualification and application of liquid chromatography-quadrupole time-offlight mass spectrometric method for the determination of carisbamate in rat plasma and prediction of its human pharmacokinetics using physiologically based pharmacokinetic modeling
Carisbamate is an antiepileptic drug and it also has broad neuroprotective activity and anticonvulsant reaction.
Antidiabetic effects and safety profile of chitosan delivery systems loaded with new xanthine-thiazolidine-4-one derivatives: in vivo studies
Based on important biological effects associated with xanthine and thiazolidine-4-one moieties, especially hypoglycemic and antioxidant, new xanthine...
Prediction of fasted and fed bioequivalence for immediate release drug products using physiologically based biopharmaceutics modeling (PBBM)
Bioequivalence studies are an integral part of clinical pharmacology strategy for drug development.
A combined in vitro in-silico approach to predict the oral bioavailability of borderline BCS Class II/IV weak base Albendazole and its main metabolite Albendazole Sulfoxide
The aim of this study was to use a combined in vitro-in silico approach to develop a physiologically based pharmacokinetic model (PBPK) that predicts...
Inductive effects in amino acids and peptides: Ionization constants and tryptophan fluorescence
Although inductive effects in organic compounds are known to influence chemical properties such as ionization constants, their specific contribution...
Computational Approaches in Preclinical Studies on Drug Discovery and Development
Because undesirable pharmacokinetics and toxicity are significant reasons for the failure of drug development in the costly late stage...
3,3′-Dichlorobiphenyl Is Metabolized to a Complex Mixture of Oxidative Metabolites, Including Novel Methoxylated Metabolites, by HepG2 Cells
3,3′-Dichlorobiphenyl (PCB 11) is a byproduct of industrial processes and detected in environmental samples.
Theoretical evaluation of EGFR kinase inhibition and toxicity of di-indol-3-yl disulphides with anti-cancer potency
Research aimed at developing potent di-indol-3-yl disulphides for cancer diseases makes use of various theoretical techniques to evaluate the drug-likeness parameters and the mode of action.