SGX523 is a quinoline containing,c-MET kinase inhibitor with an IC50 of 4nM (BuchananSGetal.,2009): Inhibited thegrowth of human glioblastoma lung and gastric cancer xenografts in mice, in a Phase 1 clinical...
Predicting Five Rat Acute Toxicity Endpoints with ANNE Models using ADMET Predictor™
Alternative methods are being explored to predict the toxicity of chemicals to reduce use of animals. Laboratory/Animal tests are costly in time and money, Cheminformatics (QSTR) presents a good alternative to…
The influence of salt chaotropicity, column hydrophobicity and analytes’ molecular properties on the retention of pramipexole and its impurities
The aim of this study was to examine the interaction of the chaotropic salts of different position in Hofmeister series (CF3COONa, NaClO4, NaPF6) added to the mobile phase with the stationary phases of...
Human Exposure Predictions and Food Effect Risk Identification
This GastroPlus™ User Group webinar explores human exposure predictions and food effect risk identification using preclinical data and PBPK models.
Fluorometholone Ocular Suspension PBPK Simulations Using the OCAT™ Model in GastroPlus™
Development of generic formulations of ophthalmic corticosteroids and regulatory acceptance of bioequivalence can be facilitated by analysis of the mechanisms of ocular dissolution, absorption...
Prediction of Pharmacokinetics and Penetration of Moxifloxacin in Human with Intra-Abdominal Infection Based on Extrapolated PBPK Model
The aim of this study is to develop a physiologically based pharmacokinetic (PBPK) model in intra-abdominal infected rats, and extrapolate it to human to predict moxifloxacin pharmacokinetics profiles in...
Design, Synthesis and Pharmacological evaluation of N-[4-(4-(alkyl/aryl/heteroaryl) -piperazin-1-yl) -phenyl] -carbamic acid ethyl ester derivatives as novel anticonvulsant agents
A series of alkyl/aryl/heteroaryl piperazine derivatives (37–54) were designed and synthesized as potential anticonvulsant agents. The target compounds are endowed with satisfactory physicochemical as well as pharmacokinetic properties.
Estimation of the chemical-induced eye injury using a weight-of-evidence (WoE) battery of 21 artificial neural network (ANN) c-QSAR models (QSAR-21): Part I: Irritation potential
Evaluation of potential chemical-induced eye injury through irritation and corrosion is required to ensure occupational and consumer safety for industrial, household and cosmetic ingredient chemicals.
Application of Absorption Modeling to Predict Bioequivalence Outcome of Two Batches of Etoricoxib Tablets
As part of the overall product development and manufacturing strategy, pharmaceutical companies routinely change formulation and manufacturing site.
Prediction of blood-brain barrier permeation of a-adrenergic and imidazoline receptor ligands using PAMPA technique and quantitative-structure permeability relationship analysis
Imidazoline receptor ligands are a numerous family of biologically active compounds known to produce central hypotensive effect by interaction with both α2-adrenoreceptors (α2-AR) and imidazoline receptors (IRs).
Interspecies prediction of oral pharmacokinetics of different formulations from dogs to human: physiologically based pharmacokinetic modelling combined with biorelevant dissolution
The aim of the present study was to use physiologically based pharmacokinetic (PBPK) modelling combined with biorelevant dissolution to quantitatively predict dog oral drug pharmacokinetic (PK)...
A Population-Based PK/PD Analysis Of Dasotraline Efficacy In The Treatment Of ADHD In Adults
Dasotraline (SEP-225289) is a new chemical entity with a slow elimination half-life demonstrating dopamine (DAT) and norepinephrine (NET) transporter inhibition in clinical studies. Here we hypothesized…
Evaluation and comparison of benchmark QSAR models to predict a relevant REACH endpoint: The bioconcentration factor (BCF)
The bioconcentration factor (BCF) is an important bioaccumulation hazard assessment metric in many regulatory contexts. Its assessment is required by the REACH regulation...
Targeting pharmacoresistant epilepsy and epileptogenesis with a dual-purpose antiepileptic drug
In human epilepsy, pharmacoresistance to antiepileptic drug therapy is a major problem affecting a substantial fraction of patients.
Computational Prediction of Drug Solubility in Fasted Simulated and Aspirated Human Intestinal Fluid
To develop predictive models of apparent solubility (Sapp) of lipophilic drugs in fasted state simulated intestinal fluid (FaSSIF) and aspirated human intestinal fluid (HIF).
Simulation of In Vitro Dissolution Behavior Using DDDPlus™
.Dissolution testing is a performance test for many dosage forms including tablets and capsules. The objective of this study was to evaluate if computer simulations can predict the in vitro dissolution of...
Eslicarbazepine Acetate Drug–Drug Interactions: Characterization Through a Model-Based Population Approach
Eslicarbazepine acetate (ESL) is a once-daily (QD) oral antiepileptic drug (AED), approved by the US Food and Drug Administration for the treatment of partial-onset seizures (POS) as monotherapy or...
Determining Pharmacological Selectivity of the Kappa Opioid Receptor Antagonist LY2456302 Using Pupillometry as a Translational Biomarker in Rat and Human
Selective kappa opioid receptor antagonism is a promising experimental strategy for the treatment of depression.
Concomitant intake of alcohol may increase the absorption of poorly soluble drugs
Ethanol can increase the solubility of poorly soluble and hence present a higher drug concentration in the gastrointestinal tract.