Based on the advantages of azole molecules and fluoroquinolone drugs, we designed and synthesized 34 clinafloxacin-azole conjugates using fragment-based drug design and drug combination principles.
Development of a population pharmacokinetic model for taranabant, a cannibinoid-1 receptor inverse agonist
Taranabant is a cannabinoid-1 receptor inverse agonist developed for the treatment of obesity.
Symptomatic cardiotoxicity associated with 5-fluorouracil
A prospective cohort study was conducted in 35 hospitals with oncology units to determine the incidence of symptomatic cardiotoxicity in patients receiving...
Relationship between drug exposure and the efficacy and safety of bupropion sustained release for smoking cessation
A population pharmacokinetic and pharmacodynamic analysis evaluated the relationships of dose, plasma concentrations of bupropion and metabolites...
Rubik’s Cube of Siderophore Assembly Established from MixedSubstrate Precursor-Directed Biosynthesis
Precursor-directed biosynthesis (PDB) is a useful microbiological technique that conscripts the native biosynthetic machinery of an organism, often a bacterium, to produce analogues of secondary metabolites.
Human CYP2A6, CYP2B6 and CYP2E1 Atropselectively Metabolize Polychlorinated Biphenyls to Hydroxylated Metabolites
Exposure to chiral polychlorinated biphenyls (PCBs) has been associated with neurodevelopmental disorders.
Brazilian stingless bee propolis and geopropolis: promising sources of biologically active compounds
Stingless bee products such as honey, pollen, propolis, and geopropolis have been used for centuries in traditional medicine for the treatment of several illnesses.
Exploration of sexual dimorphism and inter-individual variability in multivariate parameter spaces for a pharmacokinetic compartment model
Pharmacokinetic models are particularly useful to study the underlying and complex physiological mechanisms contributing to clinical differences across patient subgroups or special populations.
DDDPlus v6: In Vitro Dissolution… Reimagined
In vitro-in vivo extrapolation (IVIVE) has been a major focus of biopharmaceutics research over the last 20 years, and integration of in silico models built in GastroPlus™ help researchers identify in vitro methods for...
The GastroPlus® Batch Simulation Mode
This video describes the batch simulation mode in GastroPlus.
PBTK model for assessment of operator exposure to haloxyfop using human biomonitoring and toxicokinetic data
Physiologically-based toxicokinetic (PBTK) models are mathematical representations of chemical absorption, distribution, metabolism and excretion (ADME) in animals.
Use of generally recognized as safe or dietary compounds to inhibit buprenorphine metabolism: potential to improve buprenorphine oral bioavailability
The present study evaluated the potential of five generally recognized as safe (GRAS) or dietary compounds (α‐mangostin, chrysin, ginger extract, pterostilbene and silybin) to inhibit oxidative (CYP) and conjugative (UGT) metabolism...
Pediatric Physiologically Based Pharmacokinetic Model Development: Current Status and Challenges
This article provides a brief overview of the development of pediatric physiologically based pharmacokinetic (PPBPK) models, the challenges of uncertain systems information, and finally...
An Update to the DILI-sim Initiative and the DILIsym Tool
Identifying Right Target, Right Drug, Right Dose and Right Patient
Design, synthesis and evaluation of new classes of nonquaternary reactivators for acetylcholinesterase inhibited by organophosphates
A new series of nonquaternary conjugates for reactivation of both nerve agents and pesticides inhibited hAChE were described in this paper.
Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6
Histone deacetylase (HDAC) 6 plays a role in oncogenic transformation and cancer metastasis via tubulin deacetylation, making it a critical target for anticancer drug design.
Xanthenone-based hydrazones as potent α-glucosidase inhibitors: Synthesis, solid state self-assembly and in silico studies
Xanthenone based hydrazone derivatives (5a–n) have been synthesized as potential α-glucosidase inhibitors.
2018 White Paper on Recent Issues in Bioanalysis: ‘A global bioanalytical community perspective on last decade of incurred samples reanalysis (ISR)’ (Part 1 – small molecule regulated bioanalysis, small molecule biomarkers, peptides & oligonucleotide bioanalysis)
The 2018 12th Workshop on Recent Issues in Bioanalysis (12th WRIB) took place in Philadelphia, PA, USA on April 9-13, 2018 with an attendance of over 900 representatives...
2018 White Paper on Recent Issues in Bioanalysis: focus on immunogenicity assays by hybrid LBA/LCMS and regulatory feedback (Part 2 – PK, PD & ADA assays by hybrid LBA/LCMS & regulatory agencies’ inputs on bioanalysis, biomarkers and immunogenicity)
The 2018 12th Workshop on Recent Issues in Bioanalysis took place in Philadelphia, PA, USA on April 9-13, 2018 with an attendance of over 900 representatives from...