The influence of salt chaotropicity, column hydrophobicity and analytes’ molecular properties on the retention of pramipexole and its impurities

The influence of salt chaotropicity, column hydrophobicity and analytes’ molecular properties on the retention of pramipexole and its impurities

Publication: J of Chromatography
Software: ADMET Predictor®

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...

Fluorometholone Ocular Suspension PBPK Simulations Using the OCAT™ Model in GastroPlus™

Fluorometholone Ocular Suspension PBPK Simulations Using the OCAT™ Model in GastroPlus™

Conference: GTCBio
Division: PBPK

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

Prediction of Pharmacokinetics and Penetration of Moxifloxacin in Human with Intra-Abdominal Infection Based on Extrapolated PBPK Model

Publication: Korean J Physiol Pharmacol
Software: GastroPlus®

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

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

Publication: Bioorg Med Chem Lett.
Software: ADMET Predictor®

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

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

Authors: Verma RP, Matthews EJ
Publication: Regul Toxicol Pharmacol
Software: ADMET Predictor®

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.

Prediction of blood-brain barrier permeation of a-adrenergic and imidazoline receptor ligands using PAMPA technique and quantitative-structure permeability relationship analysis

Prediction of blood-brain barrier permeation of a-adrenergic and imidazoline receptor ligands using PAMPA technique and quantitative-structure permeability relationship analysis

Publication: Eur J Pharm Sci
Software: ADMET Predictor®

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

Interspecies prediction of oral pharmacokinetics of different formulations from dogs to human: physiologically based pharmacokinetic modelling combined with biorelevant dissolution

Publication: RSC Adv
Software: GastroPlus®

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

A Population-Based PK/PD Analysis Of Dasotraline Efficacy In The Treatment Of ADHD In Adults

Conference: American Professional Society of ADHD and Related Disorders (APSARD)

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)

Evaluation and comparison of benchmark QSAR models to predict a relevant REACH endpoint: The bioconcentration factor (BCF)

Publication: Environ Res
Software: ADMET Predictor®

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

Targeting pharmacoresistant epilepsy and epileptogenesis with a dual-purpose antiepileptic drug

Publication: Brain
Software: ADMET Predictor®

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

Computational Prediction of Drug Solubility in Fasted Simulated and Aspirated Human Intestinal Fluid

Publication: Pharm Res
Software: ADMET Predictor®

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™

Simulation of In Vitro Dissolution Behavior Using DDDPlus™

Publication: AAPS PharmSciTech
Software: 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 Drug–Drug Interactions: Characterization Through a Model-Based Population Approach

Conference: ACoP

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...

Concomitant intake of alcohol may increase the absorption of poorly soluble drugs

Concomitant intake of alcohol may increase the absorption of poorly soluble drugs

Publication: Eur J Pharm Sci
Software: ADMET Predictor®

Ethanol can increase the solubility of poorly soluble and hence present a higher drug concentration in the gastrointestinal tract.

Rethinking Scientific Workflows

Rethinking Scientific Workflows

Developing a disease drug model is an intensely creative and collaborative effort. It requires the ability to assemble available knowledge and data and to gain a collective appreciation of important relationships. As this collaborative synthesis gets underway, pharmacometricians are charged with translating the ideas and hypotheses about diseases biology and drug pharmacology into mathematical equations. The equations are then coded into the control streams that, along with the data, become the basis for investigating the feasibility of various hypotheses.

Progressive Reporting and Model Based Drug Development

Progressive Reporting and Model Based Drug Development

Over the years, our relationships with clients have deepened and Cognigen is often asked to begin working on projects at the earliest stages of development and to continue to refine a model as new data arrives from ongoing clinical development programs. Consequently, if a assets continues to show promise, we have the opportunity to provide modeling and simulation results at decision-making milestones over the lifecycle of clinical development. Typically, these activities culminate in a comprehensive synthesis of exposure-response relationships for efficacy and safety endpoints that are included in the regulatory submission.