Log D7.4 and plasma protein binding of synthetic cannabinoid receptor agonists and a comparison of experimental and predicted lipophilicity

Log D7.4 and plasma protein binding of synthetic cannabinoid receptor agonists and a comparison of experimental and predicted lipophilicity

Authors: Brandon AM, Baginski SR, Peet C, Dugard P, Green H, Sutcliffe OB, Daéid NN, Nisbet LA, Read KD, McKenzie C
Publication: Drug Test Anal
Keywords: ADME, admet predictor, gastroplus, logP, machine learning, plasma protein binding, QSAR
Software: GastroPlus®

The emergence of new synthetic cannabinoid receptor agonists (SCRAs) onto the illicit drugs market continues to cause harm, and the overall availability of physicochemical and pharmacokinetic data for new psychoactive substances is lacking.

Role of Physiologically Based Biopharmaceutics Modeling (PBBM) in Fed Bioequivalence Study Waivers: Regulatory Outlook, Case Studies and Future Perspectives

Role of Physiologically Based Biopharmaceutics Modeling (PBBM) in Fed Bioequivalence Study Waivers: Regulatory Outlook, Case Studies and Future Perspectives

Authors: Kollipara S, Martins FS, Sanghavi M, Santos GML, Saini AK, Ahmed T
Publication: J Pharm Sci
Keywords: FDA, food effect, gastroplus, pbbm, PBPK modeling, physiologically based pharmacokinetics, regulatory interactions, safe space, vbe, virtual bioequivalence
Software: GastroPlus®

Over the past few decades, physiologically based biopharmaceutics modeling (PBBM) has demonstrated its utility in both new drug and generic product development.

In silico prediction of bioequivalence of atorvastatin tablets based on GastroPlus™ software

In silico prediction of bioequivalence of atorvastatin tablets based on GastroPlus™ software

Authors: Wang L, Chen J, Chen W, Ruan Z, Lou H, Yang D, Jiang B
Publication: BMC Pharmacol Toxicol
Keywords: dissolution safe space, gastroplus, pbbm, PBPK modeling, physiologically based biopharmaceutics, product specifications, vbe, virtual bioequivalence
Software: GastroPlus®

The prediction of intestinal absorption of various drugs based on computer simulations has been a reality.

Cross species extrapolation of the disruption of thyroid hormone synthesis by oxyfluorfen using in vitro data, physiologically based pharmacokinetic (PBPK), and thyroid hormone kinetics models

Cross species extrapolation of the disruption of thyroid hormone synthesis by oxyfluorfen using in vitro data, physiologically based pharmacokinetic (PBPK), and thyroid hormone kinetics models

Authors: Decrane R, Stoker T, Murr A, Ford J, El-Masri HA
Publication: Curr Res Toxicol
Keywords: gastroplus, IVIVE, nams, next generation risk assessment, PBPK modeling, physiologically based pharmacokinetics, risk assessment, tissue:plasma partition coefficients
Software: GastroPlus®

The thyroid hormones play key roles in physiological processes such as regulation of the metabolic and cardiac systems as well as the development of the brain and surrounding sympathetic nervous system.

Quantitative Systems Toxicology (QST) Modeling Using a New Virtual Population in BIOLOGXsym Offers Mechanistic Insights Into Bile Acid-mediated Biologics-induced Liver Injury (BILI) Upon Cimaglermin Alfa (GGF2) Administration

Quantitative Systems Toxicology (QST) Modeling Using a New Virtual Population in BIOLOGXsym Offers Mechanistic Insights Into Bile Acid-mediated Biologics-induced Liver Injury (BILI) Upon Cimaglermin Alfa (GGF2) Administration

Authors: Beaudoin J, Vernetti L, Taylor DL, Gough A, Clemens L, Battista C, Siler SQ, Shoda LKM, Howell BA, Yang K
Conference: American College of Toxicology (ACT)
Keywords: ACT 2023, alanine aminotransferase (ALT), BILI, BIOLOGXsym, GGF2, hepatotoxicity, Quantitative Systems Toxicology (QST)
Software: BIOLOGXsym
Division: Quantitative Systems Pharmacology (QSP)

Biopharmaceuticals are increasingly used to treat various medical conditions, but BILI events can end...

Advancing the Multi-Targeted Mechanisms of Action of a Mitochondrial Activator (AXA1125) for Treating NASH Using a Quantitative Systems Pharmacology Model

Advancing the Multi-Targeted Mechanisms of Action of a Mitochondrial Activator (AXA1125) for Treating NASH Using a Quantitative Systems Pharmacology Model

Authors: Lakhani VV, Gao M, Hinderliter P, Russel M, Azer K, Siler SQ
Conference: AASLD
Keywords: AASLD liver meeting, NAFLD, NAFLDsym, NASH, QSP model, quantitative systems pharmacology (QSP), treatment
Software: NAFLDsym®
Division: Quantitative Systems Pharmacology (QSP)

Patients with non-alcoholic steatohepatitis (NASH) do not currently have options for pharmaceutical...

SHIP1 therapeutic target enablement: Identification and evaluation of inhibitors for the treatment of late-onset Alzheimer’s disease

SHIP1 therapeutic target enablement: Identification and evaluation of inhibitors for the treatment of late-onset Alzheimer’s disease

Authors: Jesudason CD, Mason ER, Chu S, Oblak AL, Javens-Wolfe J, Moussaif M, Durst G, Hipskind PA, Beck DE, Dong J, Amarasinghe O, Zhang ZY, Hamdani AK, Singhal K, Mesecar AD, Souza S, Jacobson MP, Salvo JD, Soni DM, Kandasamy M, Masters AR, Quinney SK, Doolen S, Huhe H, Rizzo SJS, Lamb BT, Palkowitz AD, Richardson TI
Publication: Alzheimers Dement
Keywords: admet predictor, fih, first-in-human, gastroplus, in vitro–in vivo extrapolation, IVIVE, PBPK modeling, physiologically based pharmacokinetics
Software: ADMET Predictor®, GastroPlus®

The risk of developing Alzheimer's disease is associated with genes involved in microglial function.

Predicting the pharmacokinetics and pharmacodynamics of antisense oligonucleotides: an overview of various approaches and opportunities for PBPK/PD modelling

Predicting the pharmacokinetics and pharmacodynamics of antisense oligonucleotides: an overview of various approaches and opportunities for PBPK/PD modelling

Authors: Gao X, Diep JK, Norris DA, Yu RZ, Geary RS
Publication: Expert Opin Drug Metab Toxicol
Keywords: dose selection, gastroplus, PBPK modeling, pbpk/pd, pharmacodynamics, physiologically based pharmacokinetics, PK/PD, tissue concentrations
Software: GastroPlus®

Advances in research and development (R&D) have enabled many approvals of antisense oligonucleotides (ASOs). Its administration expanded from systemic to local for treating various diseases, where predicting target tissue exposures and pharmacokinetics (PK) and pharmacodynamics (PD) in human can be critical.