Drug absorption from the gastrointestinal (GI) tract is a highly complex process dependent upon numerous factors including the physicochemical properties of the drug, characteristics of the...
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Metabolism and physiologically based pharmacokinetic modeling of flumioxazin in pregnant animals
A physiologically based pharmacokinetic (PBPK) model was developed to predict the concentration of flumioxazin, in the blood and fetus of pregnant humans during a theoretical accidental intake (1000mg/kg).
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Non-linear assessment of anticancer activity of 17-picolyl and 17-picolinylidene androstane derivatives – Chemometric guidelines for further syntheses
The present paper deals with prediction of cytotoxic activity of 17-picolyl and 17-picolinylidene androstane derivatives toward androgen receptor negative prostate cancer cell line (PC-3).
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KIWI: A Collaborative Platform for Modeling and Simulation
Drug development programs rely increasingly on pharmacometric analysis to support decision-making and submissions to regulatory agencies.1,2 To ensure high quality analysis, organizations must apply…
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Comparison of in silico models for prediction of Daphnia magna acute toxicity
Eight in silico modelling packages were evaluated and compared for the prediction of Daphnia magna acute toxicity from the viewpoint of the European legislation on chemicals, REACH.
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Simulations Plus Reports Preliminary Revenues for Third Fiscal Quarter FY2014
New All-time Record Revenues in Third Quarter
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Physiologically based pharmacokinetic modeling of CYP3A4 induction by rifampicin in human: influence of time between substrate and inducer administration
The induction of cytochrome P450 enzymes (CYPs) is an important source of drug-drug interaction (DDI) and can result in pronounced changes in pharmacokinetics (PK).
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An evaluation of the potential for drug–drug interactions between bendamustine and rituximab in indolent nonHodgkin lymphoma and mantle cell lymphoma
Bendamustine plus rituximab has been reported to be effective in treating lymphoid malignancies.
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Downregulation of IRF4 induces lytic reactivation of KSHV in primary effusion lymphoma cells
Primary effusion lymphoma (PEL), associated with the latent infection by KSHV, constitutively expresses interferon-regulatory factor 4 (IRF4).
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Visualization and Communication of Pharmacometric Models With Berkeley Madonna
Population or other pharmacometric models are a useful means to describe, succinctly, the relationships between drug administration, exposure (concentration), and downstream changes in pharmacodynamic (PD) biomarkers and clinical endpoints, including the mixed effects of patient factors and random interpatient variation (fixed and random effects.
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Simulations Plus Releases ADMET Predictor Version 7.0
Major upgrade improves all predictions, adds new ones
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Simulations Plus Releases MedChem Studio Version 4.0 and MedChem Designer 3.0
Upgrades include powerful new optical structure recognition feature
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N-(furan-2-ylmethyl)-N-methylprop-2-yn-1-amine (F2MPA): A Potential Cognitive Enhancer with MAO Inhibitor Properties
A considerable body of human and animal experimental evidence links monoaminergic systems and cognition.
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Simulations Plus Announces Agreement with License Provider
Company Buys Out Perpetual Royalty Agreement
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Tedizolid Plasma Pharmacokinetics Are Comparable in Obese and Nonobese Patients and Healthy Subjects
Tedizolid phosphate is a novel oxazolidinone prodrug antibacterial being investigated for the treatment of Gram-positive infections, including those caused by methicillin-resistant Staphylococcus aureus.
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Simulation of the In Vivo Exposure to Ibuprofen Based on In Vitro Dissolution Profiles from Solid Dosage Forms
Four ibuprofen products in two or three concentrations of active pharmaceutical ingredient were evaluated in vitro, using the conditions recommended for the upper pH- value of the three stage dissolution testing.
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A tutorial for analysing the cost-effectiveness of alternative methods for assessing chemical toxicity: the case of acute oral toxicity prediction
Compared with traditional animal methods for toxicity testing, in vitro and in silico methods are widely considered to permit a more cost-effective assessment of chemicals.
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Lipophilicity indices derived from the liquid chromatographic behavior observed under bimodal retention conditions (reversed phase/hydrophilic interaction): Application to a representative set of pyridinium oximes
The liquid chromatographic behavior observed under bimodal retention conditions (reversed phase and hydrophilic interaction) offers a new basis for the determination of some derived lipophilicity indices.
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Extemporaneously prepared controlled release formulations for accelerating the early phase development of drug candidates
Extemporaneous drug preparations, which are compounded by a pharmacist at a clinical site, are commonly used in early clinical studies to evaluate the performance of drug candidates.