Driven by chemistry but increasingly guided by pharmacology and the clinical sciences, drug research has contributed more to the progress of medicine during the past century than any other scientific factor.
Rapid Experimental and Computational Determination of Phenethylamine Drug Analogue Lipophilicity
In this work, synthetic phenethylamine drug analogues were synthesized using a shotgun method and rapidly characterized via electrospray ionization-mass spectrometry (ESI-MS) for structural confirmation...
An Agent-Based Approach to Dynamically Represent the Pharmacokinetic Properties of Baicalein
Baicalein, a typical flavonoid presented in Scutellariae radix, exhibits a unique metabolic profile during first-pass metabolism: parallel glucuronidation and sulfation pathways, with possible substrate inhibition in both pathways.
Prediction of the pharmacokinetics and tissue distribution of levofloxacin in humans based on an extrapolated PBPK model
This study developed a physiologically based pharmacokinetic (PBPK) model in intraabdominally infected rats and extrapolated it to humansto predict the levofloxacin pharmacokinetics and penetration into tissues.
Investigating the effect of autoinduction in cynomolgus monkeys of a novel anticancer MDM2 antagonist, idasanutlin, and relevance to humans
Idasanutlin (RG7388) is a potent p53-MDM2 antagonist currently in clinical development for treatment of cancer.
In silico screening of novel inhibitors of M17 Leucine Amino Peptidase (LAP) of Plasmodium vivax as therapeutic candidate
M17 LAP (Leucine Amino Peptidase) plays an important role in the hydrolysis of amino acids essential for growth and development of Plasmodium vivax(Pv), the pathogen causing malaria.
Regulatory Experience with In Vivo In Vitro Correlations (IVIVC) in New Drug Applications
In the past two decades, in vitro in vivo correlation (IVIVC) has been considered an important tool for supporting biowaivers, setting dissolution acceptance criteria, and more...
Simulations Plus Releases ADMET Predictor™ Version 8.0
Major upgrade includes fresh interface, additional capabilities
Development of In Vitro In Vivo Correlation Models for Clopidogrel Tablets to Describe Administration Under Fasting and Fed Conditions
The dissolution profiles of clopidogrel 75 mg tablets in compendial gastric and intestinal media as well as in biorelevant simulated gastric and intestinal media mimicking fasting and fed conditions were determined.
Pore blocking: An innovative formulation strategy for the design of alcohol resistant multi-particulate dosage forms
In this work calcium stearate (CaSt) multi-particulates loaded with codeine phosphate (COP) were developed in an attempt to provide extended release (ER) combined with alcohol dose dumping (ADD) resistance.
Dealing with nanosafety around the globe-Regulation vs. innovation
In recent years, nanotechnology has become increasingly important for global industries.
Physiologically Based Absorption Modeling to Explore the Impact of Food and Gastric pH Changes on the Pharmacokinetics of Alectinib.
Alectinib, a lipophilic, basic, anaplastic lymphoma kinase (ALK) inhibitor with very low aqueous solubility, has received Food and Drug Administration-accelerated approval for the treatment of patients with ALK+ non-small-cell lung cancer.
Physiologically Based Absorption Modeling to Explore the Impact of Food and Gastric pH Changes on the Pharmacokinetics of Alectinib
Alectinib, a lipophilic, basic, anaplastic lymphoma kinase (ALK) inhibitor with very low aqueous solubility, has received Food and Drug Administration-accelerated approval for the...
A Physiologically Based Pharmacokinetic Model for Ganciclovir and Its Prodrug Valganciclovir in Adults and Children
A physiologically based pharmacokinetic (PBPK) model has been developed for ganciclovir and its prodrug valganciclovir.
Simulations Plus Reports Third Quarter FY2016 Financial Results
Record quarterly revenue, 9moFY16 diluted EPS increased 23% to a record $0.242 from $0.196
The spring alpha-helix coordinates multiple modes of HCV NS3 helicase action
Genomic DNA replication requires helicases to processively unwind duplexes.
Simulations Plus Sets Date for 3rd Quarter 2016 Earnings Release and Conference Call
Conference Call to be on Thursday, July 14, at 4:15 PM ET
A comparison of two semi-mechanistic models for prolactin release and prediction of receptor occupancy following administration of dopamine D2 receptor antagonists in rats
We compared the model performance of two semi-mechanistic pharmacokinetic-pharmacodynamic models, the precursor pool model and the agonist-antagonist interaction model...