Vildagliptin is a dipeptidyl peptidase IV (DPP-4) inhibitor currently under development for the treatment of type 2 diabetes mellitus.
Population pharmacokinetics of tigecycline in healthy volunteers
Tigecycline, a novel glycylcycline, possesses broad-spectrum antimicrobial activity. A structural population pharmacokinetic model for tigecycline...
The Prediction of Drug Metabolism, Tissue Distribution, and Bioavailability of 50 Structurally Diverse Compounds in Rat Using Mechanism-Based Absorption, Distribution, and Metabolism Prediction Tools
The aim of this study was to assess a physiologically based modeling approach for predicting drug metabolism, tissue distribution, and bioavailability in rat for a structurally diverse set of...
Population pharmacokinetic model for gatifloxacin in pediatric patients
The broad spectrum of antimicrobial activity, oral bioavailability, extensive tissue distribution, and once-daily intravenous or oral dosing of gatifloxacin...
Informatics: the fuel for pharmacometric analysis
The current informal practice of pharmacometrics as a combination art and science makes it hard to appreciate the role that informatics can and should...
Serial sinus aspirate samples during high-dose, short-course levofloxacin treatment of acute maxillary sinusitis
This study assessed daily aspirate samples from an indwelling sinus catheter during high-dose, short-course levofloxacin (750 mg daily x 5 days) treatment...
Pharmacodynamics of cefprozil against Haemophilus influenzae in an in vitro pharmacodynamic model
An in vitro pharmacodynamic model was used to determine the pharmacokinetic-pharmacodynamic (PK-PD) measure and magnitude most strongly related...
Population pharmacokinetics of risperidone and 9-hydroxyrisperidone in patients with acute episodes associated with bipolar I disorder
A population model was developed with the aim to simultaneously describe risperidone and 9-hydroxyrisperidone pharmacokinetics; to obtain estimates for pharmacokinetic parameters and associated...
Selective activation of estrogen receptor-beta transcriptional pathways by an herbal extract
Novel estrogenic therapies are needed that ameliorate menopausal symptoms and have the bone-sparing effects of endogenous estrogens but do not promote breast or...
In Silico Prediction of Ionization
The focus of this chapter is computational methods for the prediction of aqueous ionization of organic molecules.
Population pharmacokinetics of tigecycline in patients with complicated intra-abdominal or skin and skin structure infections
Tigecycline, a first-in-class expanded glycylcycline antimicrobial agent, has demonstrated efficacy in the treatment of complicated skin and skin structure infections...
Biorelevant dissolution media as a predictive tool for glyburide a class II drug
The purpose of this study was to predict the oral absorption of glyburide. Biorelevant dissolution methods, combined with permeability measurements and computational simulations, were used...
In Silico Modeling of Non-Linear Drug Absorption for the P-gp Substrate Talinolol and of Consequences for the Resulting Pharmacodynamic Effect
The aim of the present work was to demonstrate P-glycoprotein's involvement in the non-linear talinolol pharmacokinetics using an advanced compartment and transit model (ACAT) and to compare...
Inhibition of the NF-kappaB pathway by varicella-zoster virus in vitro and in human epidermal cells in vivo
Varicella-zoster virus (VZV) is an alphaherpesvirus that causes varicella and herpes zoster. Using human cellular DNA microarrays, we found that many nuclear factor kappa B...
In silico prediction of aqueous solubility
The fundamentals of aqueous solubility, and the factors that affect it, are briefly outlined, followed by a short introduction to quantitative structure-property relationships.
NIPALSTREE: A New Hierarchical Clustering Approach for Large Compound Libraries and Its Application to Virtual Screening
A hierarchical clustering algorithm NIPALSTREE was developed that is able to analyze large data sets in high-dimensional space. The result can be displayed as a dendrogram.
Mutational analysis of the varicella-zoster virus ORF62/63 intergenic region
The varicella-zoster virus (VZV) ORF62/63 intergenic region was cloned between the Renilla and firefly luciferase genes, which acted as reporters of ORF62 and ORF63...
Pharmacokinetic-pharmacodynamic relationships describing the efficacy of oritavancin in patients with Staphylococcus aureus bacteremia
Bloodstream infections due to antimicrobial-resistant Staphylococcus aureus occur with increasing frequency and represent an important cause of morbidity and mortality.
Are Target-Family-Privileged Substructures Truly Privileged?
One of the early and effective approaches to G-coupled protein receptor target family library design was the analysis of a set of ligands for frequently occurring chemical moieties or substructures.
Assessing the Scaffold Diversity of Screening Libraries
Medicinal chemists have traditionally realized assessments of chemical diversity and subsequent compound acquisition, although a recent study suggests that experts are usually inconsistent in reviewing large data sets.