Neuropathic pain research remains a challenging undertaking owing to: (i) the lack of understanding about the underlying disease processes; and (ii) poor...
Prediction of acute mammalian toxicity using QSAR methods: a case study of sulfur mustard and its breakdown products
Predicting toxicity quantitatively, using Quantitative Structure Activity Relationships (QSAR), has matured over recent years to the point that the predictions can be used to help identify missing comparison...
Developing In Vitro–In Vivo Correlation of Risperidone Immediate Release Tablet
The present study was aimed to predict the absorption profile of a risperidone immediate release tablet (IR) and to develop the level A in vitro–in vivo correlation (IVIVC) of the drug using...
In silico prediction of drug dissolution and absorption with variation in intestinal pH for BCS class II weak acid drugs: ibuprofen and ketoprofen
The FDA Biopharmaceutical Classification System guidance allows waivers for in vivobioavailability and bioequivalence studies for immediate-release solid oral...
Ethanol Effects on Apparent Solubility of Poorly Soluble Drugs in Simulated Intestinal Fluid
Ethanol intake can lead to an unexpected and possibly problematic increase in the bioavailability of druglike compounds. In this work we investigated the effect of ethanol on the apparent solubility...
Computational Prediction of CNS Drug Exposure Based on a Novel In Vivo Dataset
To develop a computational model for predicting CNS drug exposure using a novel in vivo dataset.
Novel physiologically based pharmacokinetic modeling of patupilone for human pharmacokinetic predictions
Patupilone (EPO906) is a novel potent microtubule stabilizer, which has been evaluated for cancer treatment. A novel physiologically based pharmacokinetics (PBPK) model was developed...
Classification of Inhibitors of Hepatic Organic Anion Transporting Polypeptides (OATPs): Influence of Protein Expression on Drug- Drug Interactions
The hepatic organic anion transporting polypeptides (OATPs) influence the pharmacokinetics of several drug classes and are involved in many clinical drug-drug interactions.
Clinical outcome in patients receiving systemic therapy for metastatic sarcomatoid renal cell carcinoma: a retrospective analysis
Objectives: Sarcomatoid metastatic renal cell carcinoma (mRCC) represents an aggressive subset of disease, and a definitive therapeutic strategy is lacking. We seek to define...
Tissue-selective regulation of androgen-responsive genes
Introduction: Androgens regulate a wide array of physiological processes, including male sexual development, bone and muscle growth, and behavior and cognition. Because...
Predicted toxicity of naphthenic acids present in oil sands process-affected waters to a range of environmental and human endpoints
Naphthenic acids (NAs) are considered to be a major toxic component of oil sands process-affected waters (OSPW) and are also widely used for industrial processes.
Developability assessment of clinical drug products with maximum absorbable doses
Maximum absorbable dose refers to the maximum amount of an orally administered drug that can be absorbed in the gastrointestinal tract.
Biowaiver approach for biopharmaceutics classification system class 3 compound metformin hydrochloride using in silico modeling
The dependency of metformin in vivo disposition on the rate and extent of dissolution was studied.
Development of a Robust Cytopathic Effect-Based High-Throughput Screening Assay To Identify Novel Inhibitors of Dengue Virus
We have developed a robust cytopathic effect-based high-throughput screening assay to identify inhibitors of dengue virus (DENV) infection.
Parameters for pyrethroid insecticide QSAR and PBPK/PD models for human risk assessment
In this review we have examined the status of parameters required by pyrethroid QSAR-PBPK/PD models for assessing health risks.
Circadian Variations in Exsorptive Transport: In Situ Intestinal Perfusion Data and In Vivo Relevance
The circadian timing system (CTS) governs the 24-h rhythm of the organism and, hence, also main pathways responsible for drug pharmacokinetics.
In Silico Modeling for the Nonlinear Absorption Kinetics of UK-343,664: A P-gp and CYP3A4 Substrate
The aim of this work was to extrapolate in vitro and preclinical animal data to simulate the pharmacokinetic parameters of UK-343,664, a P-glycoprotein (P-gp) and CYP3A4 substrate, in human.
Small-molecule inhibitors of the androgen receptor
The present invention provides a method of inhibiting an androgen receptor by administering a compound of Formula I: or a compound of Formula II: wherein R1, R2, R3 and...
Provisional Biopharmaceutical Classification of Some Common Herbs Used in Western Medicine
The aim of this study was to classify some markers of common herbs used in Western medicine according to the Biopharmaceutical Classification System (BCS).
Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design
The computational chemistry and cheminformatics community faces many challenges to advancing the state of the art.