The In Vitro, In Vivo, and PBPK Evaluation of a Novel Lung-Targeted Cardiac-Safe Hydroxychloroquine Inhalation Aerogel

The In Vitro, In Vivo, and PBPK Evaluation of a Novel Lung-Targeted Cardiac-Safe Hydroxychloroquine Inhalation Aerogel

Authors: Alsmadi MM, Jaradat N, Obaidat RM, Alnaief M, Tayyem R, Idkaidek N
Publication: AAPS PharmSciTech
Keywords: biopharmaceutics, gastroplus, lung elf, pbbm, PBPK modeling, pcat, physiologically based pharmacokinetics, pulmonary delivery
Software: GastroPlus®

Hydroxychloroquine (HCQ) was repurposed for COVID-19 treatment. Subtherapeutic HCQ lung levels and cardiac toxicity of oral HCQ were overcome...

PB2205: A Mechanistic Absorption and Pharmacokinetic Model of Covalent BTK Inhibitor TL-895: Influence of Food and Acid Reducing Agents

PB2205: A Mechanistic Absorption and Pharmacokinetic Model of Covalent BTK Inhibitor TL-895: Influence of Food and Acid Reducing Agents

Authors: Macwan J, Fraczkiewicz G, Podoll T, Allard M, Krejsa C, Slattter G
Publication: Hemasphere
Keywords: drug pharmacokinetics, drug-drug interactions (DDIs), tyrosine kinase inhibitor
Software: ADMET Predictor®

L-895 is a highly potent, orally available, selective, covalent inhibitor of Bruton tyrosine kinase (BTK) and bone marrow tyrosine kinase X-linked (BMX)...

Quantitative Systems Toxicology identifies independent mechanisms for hepatotoxicity and bilirubin elevations due to AKR1C3 Inhibitor BAY1128688

Quantitative Systems Toxicology identifies independent mechanisms for hepatotoxicity and bilirubin elevations due to AKR1C3 Inhibitor BAY1128688

Authors: Battista C, Shoda LKM, Watkins PB, Groettrup-Wolfers E, Rottmann A, Raschke M, Generaux GT
Publication: Clinical Pharmacology & Therapeutics
Keywords: bile acids, bile salt excretory pump (BSEP), bilirubin, DILIsym, drug-induced liver injury, hepatoxicity, liver toxicity, QST, Quantitative Systems Toxicology (QST), serum alanine aminotransferase (ALT)
Software: DILIsym®
Division: Quantitative Systems Pharmacology (QSP)

BAY1128688 is a selective inhibitor of AKR1C3, investigated recently in a trial that was prematurely terminated due to drug-induced liver injury. These...

Assessing Liver Effects of Cannabidiol and Valproate Alone and in Combination Using Quantitative Systems Toxicology

Assessing Liver Effects of Cannabidiol and Valproate Alone and in Combination Using Quantitative Systems Toxicology

Authors: Lakhani VV, Generaux GT, Howell BA, Longo DM, Watkins PB
Publication: Clin Pharmacol Ther
Keywords: cannabidiol (CBD), CBD, DILIsym, Dravet syndrome, Lennox-Gastaut syndrome, QST, Quantitative Systems Toxicology (QST), seizures, serum alanine aminotransferase (ALT), tuberous sclerosis complex, valproate (VPA)
Software: DILIsym®
Division: Quantitative Systems Pharmacology (QSP)

In clinical trials of cannabidiol (CBD) for the treatment of seizures in patients with Dravet syndrome, Lennox-Gastaut syndrome, and tuberous sclerosis complex, elevations in serum alanine...

Discovering Negative Allosteric Modulators of Frizzled 4 Receptor Using the NPASS Database

Discovering Negative Allosteric Modulators of Frizzled 4 Receptor Using the NPASS Database

Authors: Ni L
Publication: Saint Joseph’s University ProQuest Dissertations Publishing
Keywords: absorption distribution metabolism and excretion (ADME), admet predictor, cancer treatment, tumorigenesis
Software: ADMET Predictor®

The class F G protein-coupled receptors (GPCRs) consists of the Smoothened receptor (SMO) and 10 Frizzled receptors (FZDs).

The Organophosphate Esters Used as Flame Retardants and Plasticizers Affect H295R Adrenal Cell Phenotypes and Functions

The Organophosphate Esters Used as Flame Retardants and Plasticizers Affect H295R Adrenal Cell Phenotypes and Functions

Authors: Li Z, Robaire B, Hales BF
Publication: Endocrinology
Keywords: endocrine disrupting chemicals, H295R human adrenal cells, Organophosphate esters, steroidogenesis
Software: ADMET Predictor®

Adverse effects associated with exposure to brominated flame retardants have led to regulations for their use and their replacement with organophosphate esters (OPEs).

In Silico Modeling Approaches Coupled with In Vitro Characterization in Predicting In Vivo Performance of Drug Delivery System Formulations

In Silico Modeling Approaches Coupled with In Vitro Characterization in Predicting In Vivo Performance of Drug Delivery System Formulations

Authors: Kambayashi A
Publication: Molecular Pharmaceutics
Keywords: biopharmaceutics, biopredictive, gastroplus, in vitro dissolution, IVIVC, pbbm, PBPK modeling, physiologically based pharmacokinetics, z-factor
Software: GastroPlus®

Optimization of the in vivo performance of dosage forms in humans is essential in developing not only conventional formulations but also drug delivery system (DDS) formulations.

Physiologically based pharmacokinetic modeling to assess the drug-drug interactions of anaprazole with clarithromycin and amoxicillin in patients undergoing eradication therapy of H. pylori infection

Physiologically based pharmacokinetic modeling to assess the drug-drug interactions of anaprazole with clarithromycin and amoxicillin in patients undergoing eradication therapy of H. pylori infection

Authors: Liang N, Zhou S, Tongtong Li, Zhang Z, Zhao T, Li R, Li M, Shao F, Wang G, Sun J
Publication: Eur J Pharm Sci
Keywords: Amoxicillin, Anaprazole, clarithromycin, drug-drug interactions (DDIs), physiologically based pharmacokinetics, proton pump inhibitor
Software: GastroPlus®

This study aimed to assess the pharmacokinetic (PK) interactions of anaprazole, clarithromycin, and amoxicillin using physiologically based pharmacokinetic (PBPK) models.

Biopharmaceutics Risk Assessment—Connecting Critical Bioavailability Attributes with In Vitro, In Vivo Properties and Physiologically Based Biopharmaceutics Modeling to Enable Generic Regulatory Submissions

Biopharmaceutics Risk Assessment—Connecting Critical Bioavailability Attributes with In Vitro, In Vivo Properties and Physiologically Based Biopharmaceutics Modeling to Enable Generic Regulatory Submissions

Authors: Ahmed T, Kollipara S, Boddu R, Bhattiprolu AK
Publication: AAPS J
Keywords: dddplus, drug product specifications, gastroplus, generic drugs, pbbm, PBPK modeling, pharmacokinetics, physiologically based biopharmaceutics modeling, regulatory interactions, safe space, vbe, virtual bioequivalence
Software: GastroPlus®

Quality risk assessment following ICH Q9 principles is an important activity to ensure optimal clinical efficacy and safety of a drug product.

Progressive tools and critical strategies for development of best fit PBPK model aiming better in vitro–in vivo correlation

Progressive tools and critical strategies for development of best fit PBPK model aiming better in vitro–in vivo correlation

Authors: Gollhar A, Pillai N, Dhakne P, Rajput N, Jadav T, Sengupta T
Publication: Int J Pharm
Keywords: biopharmaceutics, dissolution specifications, gastroplus, IVIVC, pbbm, PBPK modeling, physiologically based pharmacokinetics, safe space, vbe
Software: GastroPlus®

Nowadays, conducting discriminative dissolution experiments employing physiologically based pharmacokinetic modeling (PBPK)...

Better Together: AI/ML, PBPK and QSP/QST Modeling in Drug Discovery & Development

Better Together: AI/ML, PBPK and QSP/QST Modeling in Drug Discovery & Development

Authors: Howell B, Fohey J, DiBella J, Woodhead JL, Chang S
Keywords: ai drug discovery, DILIsym, drug development, gastroplus, machine learning (ML)
Software: DILIsym®, GastroPlus®
Division: PBPK, Quantitative Systems Pharmacology (QSP)

Modeling and simulation offer useful predictions that can help guide your drug development program—but what if you could get even more out of the available technology?

Power of integrating PBPK with PBBM (PBPK-BM): a single model predicting food effect, gender impact, drug-drug interactions and bioequivalence in fasting & fed conditions

Power of integrating PBPK with PBBM (PBPK-BM): a single model predicting food effect, gender impact, drug-drug interactions and bioequivalence in fasting & fed conditions

Authors: Boddu R, Kollipara S, Vijawargi G, Ahmed T
Publication: Xenobiotica
Keywords: ddI, food effect, gastroplus, pbbm, PBPK modeling, physiologically based biopharmaceutics, physiologically based pharmacokinetics, special populations
Software: GastroPlus®

Over the past few years, PBPK and PBBM modelling have proven their significance in drug development. PBPK modelling is traditionally used to predict..

Development of Successful Physiologically-Based Pharmacokinetic (PBPK) Models

Development of Successful Physiologically-Based Pharmacokinetic (PBPK) Models

Authors: Idkaidek N
Publication: Jordan Journal of Pharmaceutical Sciences
Keywords: additional dosage routes, gastroplus, IVIVC, IVIVE, pbbm, PBPK modeling, physiologically based pharmacokinetics
Software: GastroPlus®

Physiologically-based pharmacokinetic (PBPK) modeling is a strong mathematical tool that integrates body physiology, drug physicochemical properties...

Teaching of Drug Disposition using Physiologically Based Pharmacokinetic Modeling Software: GastroPlus as an Educational Tool

Teaching of Drug Disposition using Physiologically Based Pharmacokinetic Modeling Software: GastroPlus as an Educational Tool

Authors: Morningstar-Kywi N, Morris DN, Romero RM, Haworth IS
Publication: Adv Physiol Educ
Keywords: active learning, education, gastroplus, PBPK modeling, physiologically based pharmacokinetics
Software: GastroPlus®

Physiologically based pharmacokinetic (PBPK) modeling requires understanding of chemical, physiologic, and pharmacokinetic principles.