In silico prediction of drug dissolution and absorption with variation in intestinal pH for BCS class II weak acid drugs: ibuprofen and ketoprofen

In silico prediction of drug dissolution and absorption with variation in intestinal pH for BCS class II weak acid drugs: ibuprofen and ketoprofen

Authors: Tsume Y, Langguth P, Garcia-Arieta A, Amidon GL
Publication: Biopharm Drug Dispos
Keywords: bioequivalence, biopharmaceutical classification system, dissolution, gastrointestinal tract (GIT), in silico prediction, in vitro dissolution, oral absorption
Software: GastroPlus®

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 Effects on Apparent Solubility of Poorly Soluble Drugs in Simulated Intestinal Fluid

Authors: Fagerberg JH, Al-Tikriti Y, Ragnarsson G, Bergstrom CAS
Publication: Mol Pharm
Keywords: body fluids, hydrogen-ion concentration, intestinal absorption, intestines, metabolism, pharmaceutical preparations, solubility
Software: ADMET Predictor®

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...

Novel physiologically based pharmacokinetic modeling of patupilone for human pharmacokinetic predictions

Novel physiologically based pharmacokinetic modeling of patupilone for human pharmacokinetic predictions

Authors: Xia B, Heimbach T, Lin T, He H, Wang Y, Tan E
Publication: Cancer Chemother Pharmacol
Keywords: animals, antineoplastic agents, autoradiography, biological models, epothilones, humans, liver microsomes, metabolism, rats
Software: GastroPlus®

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

Classification of Inhibitors of Hepatic Organic Anion Transporting Polypeptides (OATPs): Influence of Protein Expression on Drug- Drug Interactions

Authors: Karlgren M, Vildhede A, Norinder U, Wisniewski JR, Kimoto E, Lai Y, Haglund U, Artursson P
Publication: J Med Chem
Keywords: atorvastatin calcium, biological transport, drug interaction, estradiol, estrone, HEK293 cells, heptanoic acids, humans, in vitro techniques, liver metabolism, molecular models, organic anion transporters, pharmacokinetics, protein isoforms, pyrroles, structure−activity relationships (SAR)
Software: ADMET Predictor®

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

Clinical outcome in patients receiving systemic therapy for metastatic sarcomatoid renal cell carcinoma: a retrospective analysis

Authors: Pal SK, Jones JO, Carmichael C, Saikia J, Hsu J, Liu X, Figlin RA, Twardowski P, Lau C
Publication: Urol Oncol
Keywords: chemotherapy, response, Sarcomatoid renal cell carcinoma, Sorafenib; Sunitinib, Survival, Targeted therapy

Objectives: Sarcomatoid metastatic renal cell carcinoma (mRCC) represents an aggressive subset of disease, and a definitive therapeutic strategy is lacking. We seek to define...

Predicted toxicity of naphthenic acids present in oil sands process-affected waters to a range of environmental and human endpoints

Predicted toxicity of naphthenic acids present in oil sands process-affected waters to a range of environmental and human endpoints

Authors: Scarlett AG, West CE, Jones D, Galloway TS, Rowland SJ
Publication: Sci Total Environ
Keywords: animals, carboxylic acids, carcinogens, cyprinidae, cytochrome, endocrine disruptors, extraction and processing Industry, humans, lethal dose 50, metabolism, mice, rats, structure−activity relationships (SAR), Toxicity, water pollutants
Software: ADMET Predictor®

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

Developability assessment of clinical drug products with maximum absorbable doses

Authors: Ding X, Rose JP, Van Gelder J
Publication: Int J Pharm
Keywords: area under curve, artificial intelligence, chromatography, computer simulation, drug design, high pressure liquid, intestinal absorption, oral administration, particle size, permeability, pharmaceutical chemistry, pharmaceutical preparations, solubility, spectrophotometry
Software: GastroPlus®

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

Biowaiver approach for biopharmaceutics classification system class 3 compound metformin hydrochloride using in silico modeling

Authors: Crison JR, Timmins P, Keung A, Upreti VV, Boulton DW, Scheer BJ
Publication: J Pharm Sci
Keywords: area under curve, biopharmaceutics, humans, hypoglycemic agents, metformin, solubility, theoretical models, therapeutic equivalency
Software: GastroPlus®

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

Development of a Robust Cytopathic Effect-Based High-Throughput Screening Assay To Identify Novel Inhibitors of Dengue Virus

Authors: McCormick KD, Liu S, Jacobs JL, Marques, Jr ETA, Sluis-Cremer N, Wang T
Publication: Antimicrob Agents Chemother
Keywords: antiviral drugs, Cellular ATP, dengue virus, high-throughput screening (HTS)

We have developed a robust cytopathic effect-based high-throughput screening assay to identify inhibitors of dengue virus (DENV) infection.