Pan-genome mediated therapeutic target mining in Kingella kingae and inhibition assessment using traditional Chinese medicinal compounds: an informatics approach

Pan-genome mediated therapeutic target mining in Kingella kingae and inhibition assessment using traditional Chinese medicinal compounds: an informatics approach

Authors: Basharat Z, Meshal A
Publication: J Biomol Struct Dyn
Keywords: admet predictor, gastroplus, lead selection, machine learning, PBPK modeling, physiologically based pharmacokinetics, virtual screening
Software: GastroPlus®

Kingella kingae causes bacteremia, endocarditis, osteomyelitis, septic arthritis, meningitis, spondylodiscitis, and lower respiratory tract infections in pediatric patients

Rapid emergence of potentially transmissible SARS-CoV-2 with resistance to combination monoclonal antibody therapy

Rapid emergence of potentially transmissible SARS-CoV-2 with resistance to combination monoclonal antibody therapy

Authors: Jacobs JL, Haidar G, Naqvi A, McCormick KD, Sobolewski M, Treat BR, Heaps AL, Simpson J, Kramer KH, McCreary E, Bariola JR, Klamar-Blain C, Macatangay BJC, Dimitrov D, Li W, Marino CC, Raptis A, Sethi R, Chandran U, Barratt-Boyes S, Parikh UM, Mellors JM
Publication: Open Forum Infectious Diseases
Keywords: COVID-19, monoclonal antibody therapy, SARS-CoV-2

Prolonged COVID-19 may generate new viral variants.

Usefulness of the Beagle Model in the Evaluation of Paracetamol and Ibuprofen Exposure after Oral Administration to Pediatric Populations: An Exploratory Study

Usefulness of the Beagle Model in the Evaluation of Paracetamol and Ibuprofen Exposure after Oral Administration to Pediatric Populations: An Exploratory Study

Authors: Statelova M, Holm R, Fotaki N, Reppas C, Vertzoni M
Publication: Mol Pharm
Keywords: children, food effect, gastroplus, PBPK modeling, pediatrics, physiologically based pharmacokinetics, translational pk
Software: GastroPlus®

The present study aimed to explore the usefulness of beagle dogs in combination with physiologically based pharmacokinetic (PBPK) modeling...

Investigating the influence of the type of polymer on sustaining the supersaturation from amorphous solid dispersions of Apremilast and its pharmacokinetics

Investigating the influence of the type of polymer on sustaining the supersaturation from amorphous solid dispersions of Apremilast and its pharmacokinetics

Authors: Shetty D, Yarlagadda DL, Brahmam B, Dengale SJ, Lewis SA
Publication: J Drug Dev Sci and Tech
Keywords: ASD, biopharmaceutics, enabled formulations, gastroplus, PBPK modeling, physiologically based pharmacokinetics, precipitation kinetics
Software: GastroPlus®

Apremilast, a BCS class IV drug, has minimal solubility in aqueous medium which results in poor bioavailability.

Clinical Ocular Exposure Extrapolation Using PBPK Modeling and Simulation: Besifloxacin Suspension Case Study

Clinical Ocular Exposure Extrapolation Using PBPK Modeling and Simulation: Besifloxacin Suspension Case Study

Authors: Le Merdy M, AlQaraghuli F, Lukacova V
Conference: ARVO
Keywords: clinical ocular exposure, Ocular physiologically based pharmacokinetic (O-PBPK) modeling, ophthalmic suspensions, PK data
Software: GastroPlus®
Division: PBPK

The purpose of this research is to demonstrate the ability of O-PBPK models, validated against rabbit PK data, to predict clinical ocular exposure, following topical administration of ophthalmic suspensions

Validation of PBPK-Based Translation to Predict Monoclonal Antibody Pharmacokinetics in Pediatric Populations

Validation of PBPK-Based Translation to Predict Monoclonal Antibody Pharmacokinetics in Pediatric Populations

Authors: Zunino C, Perrier J, Gualano V, Zhou H, Lukacova V, Le Merdy M
Conference: AAPS
Keywords: Antibody Pharmacokinetics, Pediatric Populations, physiologically based pharmacokinetic (PBPK) models, TMDD model
Software: GastroPlus®
Division: PBPK

Accurate prediction of the pediatric dose is a necessity before conducting a clinical trial or using a drug product in standard clinical practices.

Next generation risk assessment of human exposure to estrogens using safe comparator compound values based on in vitro bioactivity assays

Next generation risk assessment of human exposure to estrogens using safe comparator compound values based on in vitro bioactivity assays

Authors: van Tongeren TCA, Wang S, Carmichael PL, Rietjens IMCM, Li H
Publication: Regul Tox
Keywords: 3R compliant method, Dietary Comparator, Estrogen receptor, In vitro/in silico approaches, risk assessment
Software: ADMET Predictor®

In next generation risk assessment (NGRA), the Dietary Comparator Ratio (DCR) can be used to assess the safety of chemical exposures to humans in a 3R compliant approach.

Harmonizing Biopredictive Methodologies Through the Product Quality Research Institute (PQRI) Part I: Biopredictive Dissolution of Ibuprofen and Dipyridamole Tablets

Harmonizing Biopredictive Methodologies Through the Product Quality Research Institute (PQRI) Part I: Biopredictive Dissolution of Ibuprofen and Dipyridamole Tablets

Authors: Tsume Y, Ashworth L, Bermejo M, Cheng J, Cicale V, Dressman J, Fushimi M, González-Álvarez I, Guo Y, Jankovsky C, Lu X, Matsui K, Patel S, Sanderson N, Sun CC, Thakral NK, Yamane M, Zöller L
Publication: AAPS J
Keywords: biorelevant dissolution, gastroplus, IVIVC, ivivr, pbbm, PBPK modeling, physiologically based biopharmaceutics
Software: GastroPlus®

Assessing in vivo performance to inform formulation selection and development decisions is an important aspect of drug development.

Artificial Intelligence in Drug Metabolism and Excretion Prediction: Recent Advances, Challenges, and Future Perspectives

Artificial Intelligence in Drug Metabolism and Excretion Prediction: Recent Advances, Challenges, and Future Perspectives

Authors: Tran TTV, Tayara H, Chong KT
Publication: Pharmaceutics
Keywords: artificial intelligence, deep learning, drug discovery, drug excretion, drug metabolism, in silico method, machine learning, web servers
Software: ADMET Predictor®

Drug metabolism and excretion play crucial roles in determining the efficacy and safety of drug candidates, and predicting these processes is an essential part of drug discovery and development.

Enhancing Drug-Drug Interaction Prediction by Integrating Physiologically-Based Pharmacokinetic Model with Fraction Metabolized by CYP3A4

Enhancing Drug-Drug Interaction Prediction by Integrating Physiologically-Based Pharmacokinetic Model with Fraction Metabolized by CYP3A4

Authors: Jiang P, Chen T, Chu L, Xu R, Gao J, Wang L, Liu Q, Tang L, Wan H, Li M, Hong-can R
Publication: Authorea
Keywords: clinical pharmacology, ddI, drug–drug interaction, gastroplus, metabolism-based ddi, PBPK modeling
Software: GastroPlus®

Enhancing the precision of drug-drug interaction (DDI) prediction is essential for mitigating potential drug interactions and enhancing drug safety and efficacy.