Improved Oral Pharmacokinetics of Pentoxifylline with Palm Oil and Capmul® MCM Containing Self-Nano-Emulsifying Drug Delivery System

Improved Oral Pharmacokinetics of Pentoxifylline with Palm Oil and Capmul® MCM Containing Self-Nano-Emulsifying Drug Delivery System

Authors: Shailendrakumar AM, Ghate VM, Kinra M, Lewis SA
Publication: AAPS PharmSciTech
Keywords: gastroplus, pbbm, PBPK modeling, physiologically based biopharmaceutics modeling, pkplus
Software: GastroPlus®

Pentoxifylline (PTX), an anti-hemorrhage drug used in the treatment of intermittent claudication, is extensively metabolized by the liver resulting in a reduction of the therapeutic levels within a short duration of time.

Discordance between Etravirine Phenotype and Genotype-Based Predicted Phenotype for Subtype C HIV-1 from First-Line Antiretroviral Therapy Failures in South Africa

Discordance between Etravirine Phenotype and Genotype-Based Predicted Phenotype for Subtype C HIV-1 from First-Line Antiretroviral Therapy Failures in South Africa

Authors: McCormick KD, Penrose KJ, Brumme CJ, Harrigan PR, Viana RV, Mellors JW, Parikh UM, Wallis CL
Publication: Antimicrobial Agents and Chemotherapy
Keywords: ETR, etravirine, genotyping, HIVdb, NNRTI, phenotyping, subtype C, third line

Etravirine (ETR) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in treatment-experienced individuals.

Insights into the degradation chemistry of tazarotene, a third generation acetylenic retinoid: LC-HRMS (Orbitrap), LC-MSn and NMR characterization of its degradation products, and prediction of their physicochemical and ADMET properties

Insights into the degradation chemistry of tazarotene, a third generation acetylenic retinoid: LC-HRMS (Orbitrap), LC-MSn and NMR characterization of its degradation products, and prediction of their physicochemical and ADMET properties

Authors: Singh DK, Sahu A, Balhara A, Giri S, Singh S
Publication: J Pharm Biomed Anal
Keywords: admet predictor, Degradation products, LC–MSNMR, stress testing, Tazarotene
Software: ADMET Predictor®

Tazarotene is a prodrug that belongs to the acetylenic class of retinoids.

In vivo metabolic investigation of cetilistat in normal versus pseudo‐germ‐free rats using UPLC‐QTOFMS/MS and in silico toxicological evaluation of its metabolites

In vivo metabolic investigation of cetilistat in normal versus pseudo‐germ‐free rats using UPLC‐QTOFMS/MS and in silico toxicological evaluation of its metabolites

Authors: Tiwari SS, Mukesh S, Sangamwar AT, Kumar Talluri MVN
Publication: Biomed Chromatogr
Keywords: ADMET PredictorTM, cetilistat, gut microflora, pancreatic lipase inhibitor, pseudo‐germ‐free rats
Software: ADMET Predictor®

Cetilistat (CET) is a pancreatic lipase inhibitor approved for management of obesity after the serious adverse effects exhibited by its analogue orlistat.

Probability of Target Attainment Analyses to Inform Ceftolozane/Tazobactam Dosing Regimens in Hospital-Acquired Pneumonia/Ventilator-Associated Pneumonia Patients With End-Stage Renal Disease on Intermittent Hemodialysis

Probability of Target Attainment Analyses to Inform Ceftolozane/Tazobactam Dosing Regimens in Hospital-Acquired Pneumonia/Ventilator-Associated Pneumonia Patients With End-Stage Renal Disease on Intermittent Hemodialysis

Authors: Feng HP, Patel Y, Zhang Z, Fiedler-Kelly J, Bruno CJ, Rhee E, De Anda C, Gao W
Conference: ECCMID
Keywords: ceftolozane, PopPK, population pharmacokinetic, tazobactam
Division: Clinical Pharmacology and Pharmacometrics (CPP)

Nosocomial pneumonia, including hospital-acquired pneumonia (HAP) and ventilator-associated pneumonia (VAP), is a common type of hospital-acquired infection, with mortality rates estimated to be as high as 50%.

Ceftolozane/Tazobactam Probability of Target Attainment in Patients With Hospital-Acquired Pneumonia/ Ventilator-Associated Pneumonia

Ceftolozane/Tazobactam Probability of Target Attainment in Patients With Hospital-Acquired Pneumonia/ Ventilator-Associated Pneumonia

Authors: Zhang Z, Patel YT, Gao W, Johnson MG, Fiedler-Kelly J, Bruno CJ, Rhee E, De Anda C, Feng HP
Conference: ECCMID
Keywords: ceftolozane, tazobactam
Division: Clinical Pharmacology and Pharmacometrics (CPP)

Hospital-acquired pneumonia (HAP) and ventilator-associated pneumonia (VAP) are common hospital-acquired infections that are associated with mortality rates as high as 50%

Integration of in vitro data from three dimensionally cultured HepaRG cells and physiologically based pharmacokinetic modeling for assessment of acetaminophen hepatotoxicity

Integration of in vitro data from three dimensionally cultured HepaRG cells and physiologically based pharmacokinetic modeling for assessment of acetaminophen hepatotoxicity

Authors: Zhang C, Zhang Q, Li J, Yu L, Li F, Li W, Li Y, Peng H, Zhao J, Carmichael PL, Wang Y, Peng S, Guo J
Publication: Regul Toxicol Pharmacol
Keywords: gastroplus, hepatotoxicity, liver injury, PBPK modeling, risk assessment, safety research
Software: GastroPlus®

Selection of appropriate fit-for-purpose in vitro and in silico models is critical for non-animal safety assessment of chemical-induced hepatoxicity.

Quantitative structure–toxicity relationships in translational toxicology

Quantitative structure–toxicity relationships in translational toxicology

Authors: Slavov S, Beger RD
Publication: Current Opinion in Toxicology
Keywords: quantitative structure activity relationship, Quantitative structure–toxicity relationship, Translational toxicology
Software: ADMET Predictor®

During the past decade, quantitative structure–activity relationship (QSAR) enjoyed an ever-increasing application in various fields including...

Population Pharmacokinetic Analysis of the Cathepsin K Inhibitor Odanacatib: Insights Into Intrinsic and Extrinsic Factor Effects on Exposure in Postmenopausal and Elderly Women

Population Pharmacokinetic Analysis of the Cathepsin K Inhibitor Odanacatib: Insights Into Intrinsic and Extrinsic Factor Effects on Exposure in Postmenopausal and Elderly Women

Authors: Jaworowicz DJ, Bihorel S, Zajic S, Stoch A, Humphrey RL, McCrea JB, Stone J
Publication: J Clin Pharmacol
Keywords: clinical trials, modeling and simulation, pharmaceutical research and development (PRD), pharmacokinetics and drug metabolism, population pharmacokinetics
Division: Clinical Pharmacology and Pharmacometrics (CPP)

This analysis developed a population pharmacokinetic (PK) model for odanacatib, characterized demographic and concomitant medication covariates effect...

Studies on effects of umbelliferon derivatives against periodontal bacteria; antibiofilm, inhibition of quorum sensing and molecular docking analysis

Studies on effects of umbelliferon derivatives against periodontal bacteria; antibiofilm, inhibition of quorum sensing and molecular docking analysis

Authors: Amina A, Hanif M, Abbas K, Ramzan M, Rasheed A, Zamand A, Pieters L
Publication: Microb Pathogenesis
Keywords: antiquorum sensing, clinical strains, ferula narthex, molecular docking, periodontitis
Software: ADMET Predictor®

Umbelliferon derivatives are exclusively found in plants of Ferula spp. that are commonly used in curing various health concerns related...

Computational studies of a series of 2-substituted phenyl-2-oxo-, 2-hydroxyl- and 2-acylloxyethylsulfonamides as potent anti-fungal agents

Computational studies of a series of 2-substituted phenyl-2-oxo-, 2-hydroxyl- and 2-acylloxyethylsulfonamides as potent anti-fungal agents

Authors: Isyaku Y, Uzairu A, Uba S
Publication: Heliyon
Keywords: ADME/T, Anti-fungal, Botrytis cinereal, Ligand-based design, molecular docking, Organic chemistry, pharmaceutical chemistry, Theoretical chemistry
Software: ADMET Predictor®

Botrytis Cinerea is a plant pathogen that affect a large number of plant species like tomatoes, Lettuce, Grapes, and Strawberries among others...

Establishment of a clinically relevant specification for dissolution testing using physiologically based pharmacokinetic (PBPK) modeling approaches

Establishment of a clinically relevant specification for dissolution testing using physiologically based pharmacokinetic (PBPK) modeling approaches

Authors: Kato T, Nakagawa H, Mikkaichi T, Miyano T, Ando S, Matsumoto Y
Publication: Eur J Pharm Biopharm
Keywords: clinical relevance, dissolution specifications, gastroplus, pbbm, PBPK modeling, physiologically based biopharmaceutics model
Software: GastroPlus®

This paper presented how to establish a clinically relevant specification (CRS) using in silico physiologically based pharmacokinetic (PBPK) modeling.