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.

Live Stream Learning with Simulations Plus Day Two

Live Stream Learning with Simulations Plus Day Two

Authors: DiBella J, Lawless M, Mullin JM, Clary J
Keywords: gastroplus, in silico in vitro–in vivo extrapolation (IVIVE), live stream learning, malaria, oral dose, PBPK modeling
Software: GastroPlus®
Division: PBPK

Bringing you scientific talks & poster presentations you missed from the 59th Annual SOT/Tox Expo and American Society for Clinical Pharmacology & Therapeutics conference by Simulations Plus… virtually.

Early assessment of PK properties with the ADMET Predictor® HTPK Simulation module, a high-throughput mechanistic PBPK approach

Early assessment of PK properties with the ADMET Predictor® HTPK Simulation module, a high-throughput mechanistic PBPK approach

Authors: Miller D, Jamois E
Keywords: ACAT model, admet predictor, bioavailability, drug discovery, HTPK simulation module, human intestinal absorption (HIA), PK assessment
Software: ADMET Predictor®
Division: PBPK

This webinar introduces how the ADMET Predictor® HTPK Simulation module can effectively be used to provide early PK assessment in discovery programs.

Live Stream Learning with Simulations Plus: Day One

Live Stream Learning with Simulations Plus: Day One

Authors: Howell BA, Gebremichael Y, Lakhani VV, Yang K
Keywords: clinical pharmacology, live stream learning, liver toxicity, toxicology
Software: DILIsym®
Division: PBPK, Quantitative Systems Pharmacology (QSP)

Bringing you scientific talks & poster presentations you missed from the 59th Annual SOT/Tox Expo and American Society for Clinical Pharmacology & Therapeutics conference by Simulations Plus… virtually.