Tazarotene is a prodrug that belongs to the acetylenic class of retinoids.
In vivo metabolic investigation of cetilistat in normal versus pseudo‐germ‐free rats using UPLC‐QTOFMS/MS and in silico toxicological evaluation of its metabolites
Cetilistat (CET) is a pancreatic lipase inhibitor approved for management of obesity after the serious adverse effects exhibited by its analogue orlistat.
Integration of in vitro data from three dimensionally cultured HepaRG cells and physiologically based pharmacokinetic modeling for assessment of acetaminophen hepatotoxicity
Selection of appropriate fit-for-purpose in vitro and in silico models is critical for non-animal safety assessment of chemical-induced hepatoxicity.
Quantitative structure–toxicity relationships in translational toxicology
During the past decade, quantitative structure–activity relationship (QSAR) enjoyed an ever-increasing application in various fields including...
Population Pharmacokinetic Analysis of the Cathepsin K Inhibitor Odanacatib: Insights Into Intrinsic and Extrinsic Factor Effects on Exposure in Postmenopausal and Elderly Women
This analysis developed a population pharmacokinetic (PK) model for odanacatib, characterized demographic and concomitant medication covariates effect...
Studies on effects of umbelliferon derivatives against periodontal bacteria; antibiofilm, inhibition of quorum sensing and molecular docking analysis
Umbelliferon derivatives are exclusively found in plants of Ferula spp. that are commonly used in curing various health concerns related...
Computational studies of a series of 2-substituted phenyl-2-oxo-, 2-hydroxyl- and 2-acylloxyethylsulfonamides as potent anti-fungal agents
Botrytis Cinerea is a plant pathogen that affect a large number of plant species like tomatoes, Lettuce, Grapes, and Strawberries among others...
Fundamental aspects of DMPK optimization of targeted protein degraders
Targeted protein degraders are an emerging modality.
Establishment of a clinically relevant specification for dissolution testing using physiologically based pharmacokinetic (PBPK) modeling approaches
This paper presented how to establish a clinically relevant specification (CRS) using in silico physiologically based pharmacokinetic (PBPK) modeling.
Translational Modeling Strategies for Orally Administered Drug Products: Academic, Industrial and Regulatory Perspectives
During non-clinical and clinical development of a new molecular entity (NME), modeling and simulation (M&S) are routinely used to predict...
A next generation risk assessment case study for coumarin in cosmetic products
Next Generation Risk Assessment (NGRA) is defined as an exposure-led, hypothesis-driven risk assessment approach that...
Physiologically-based pharmacokinetic models for children: Starting to reach maturation?
Developmental changes in children can affect the disposition and clinical effects of a drug, indicating that scaling an...
Alflutinib (AST2818), primarily metabolized by CYP3A4, is a potent CYP3A4 inducer
Alflutinib (AST2818) is a third-generation epidermal growth factor receptor (EGFR) inhibitor that inhibits both EGFR-sensitive mutations and T790M mutations.
Liver toxicity of anthraquinones: A combined in vitro cytotoxicity and in silico reverse dosimetry evaluation
Anthraquinones are found in a variety of consumer products such as dietary supplements, traditional Chinese medicines, and drugs.
(Q)SAR tools for the prediction of mutagenic properties: Are they ready for application in pesticide regulation?
The assessment of human health risks resulting from the presence of metabolites in groundwater and food residues has become an important element...
In vitro evaluation of reactive nature of E- and Z-guggulsterones and their metabolites in human liver microsomes using UHPLC-Orbitrap mass spectrometer
Guggulipid is known to be useful for hypercholesterolemia, arthritis, acne, and obesity.
Forced degradation studies of norepinephrine and epinephrine from dental anesthetics: Development of stability‐indicating HPLC method and in silico toxicity evaluation
Injectable solutions containing epinephrine (EPI) and norepinephrine (NE) are not stable, and their degradation is...
Putting deep learning in perspective for pest management scientists
‘Deep learning’ is causing rapid technological changes in many fields of science, and conjectures about its potential for...
In vitro – In vivo correlation in the development of oral drug formulation: A screenshot of the last two decades
In vitro – in vivo correlation (IVIVC) allows prediction of the in vivo performance of a pharmaceutical product based on its in vitro...
Ensemble modeling highlights importance of understanding parasite-host behavior in preclinical antimalarial drug development
Emerging drug resistance and high-attrition rates in early and late stage drug development necessitate accelerated development of antimalarial compounds.