CMC development of [14C]-labeled sotorasib for the conduct of microtracer human ADME study

CMC development of [14C]-labeled sotorasib for the conduct of microtracer human ADME study

Authors: Sharma S, Agarwal P, Parsons AT, Huckle JE, Correll TL
Publication: AAPS Open
Keywords: biopharmaceutics, gastroplus, in vitro dissolution, parameter sensitivity analysis, particle size distribution, pbbm, PBPK modeling, physiologically based pharmacokinetics
Software: GastroPlus®

Human absorption, distribution, metabolism, and excretion (hADME) studies of new drugs are required for global regulatory filings.

Liquid Chromatography–Electrospray Ionization Tandem Mass Spectrometry Estimation of Quercetin-Loaded Nanoemulsion in Rabbit Plasma: In Vivo–In Silico Pharmacokinetic Analysis Using GastroPlus

Liquid Chromatography–Electrospray Ionization Tandem Mass Spectrometry Estimation of Quercetin-Loaded Nanoemulsion in Rabbit Plasma: In Vivo–In Silico Pharmacokinetic Analysis Using GastroPlus

Authors: Das SS, Verma PRP, Sekarbabu V, Mohanty S, Pattnaik AK, Ruokolainen J, Kesari KK, Singh SK
Publication: ACS Omega
Keywords: biopharmaceutics, gastroplus, mechanistic ivivc, pbbm, PBPK modeling, physiologically based pharmacokinetics
Software: GastroPlus®

In the present study, we developed and validated a rapid, specific, sensitive, and reproducible liquid chromatography–electrospray ionization tandem mass spectrometry method...

Physiologically Based Pharmacokinetic Modelling to Predict Pharmacokinetics of Enavogliflozin, a Sodium-Dependent Glucose Transporter 2 Inhibitor, in Humans

Physiologically Based Pharmacokinetic Modelling to Predict Pharmacokinetics of Enavogliflozin, a Sodium-Dependent Glucose Transporter 2 Inhibitor, in Humans

Authors: Kim MS, Choi JS, Ji HY, Yang E, Park JS, Kim HS, Kim MJ, Cho IK, Chung SJ, Chae YJ, Lee KR
Publication: Pharmaceutics
Keywords: diabetes mellitus, DWP16001, Enavogliflozin, GCC5694A, in vitro–in vivo extrapolation, mechanistic kidney model, pharmacokinetics, physiologically-based pharmacokinetic modelling, sodium-glucose cotransporter 2 inhibitor
Software: ADMET Predictor®

Enavogliflozin is a sodium-dependent glucose cotransporter 2 (SGLT2) inhibitor approved for clinical use in South Korea.

NAFLDsym v2B Beta Release is Here: Insight into the Next Gen QSP Software Tool in Julia with Blazing Speed and Updated Interfacing

NAFLDsym v2B Beta Release is Here: Insight into the Next Gen QSP Software Tool in Julia with Blazing Speed and Updated Interfacing

Authors: Howell B, Siler SQ, McDaniel MC, Berry C, Huizar F
Keywords: graphical user interface (GUI), modeling and simulation, NAFLDsym v2B Beta, QSP (quantitative systems pharmacology) modeling program, QST modeling, SimPops
Software: NAFLDsym®
Division: Quantitative Systems Pharmacology (QSP)

Join us in this webinar to learn about the technical advances made to the NAFLDsym platform in the latest release: version 2B Beta.

Computational Analysis and Experimental Testing of the Molecular Mode of Action of Gatastatin and Its Derivatives

Computational Analysis and Experimental Testing of the Molecular Mode of Action of Gatastatin and Its Derivatives

Authors: Vottero P, Wang Q, Michalak M, Aminpour M, Tuszynski JA
Publication: Cancer
Keywords: docking, gatastatin, microtubules, molecular dynamics, tubulin
Software: ADMET Predictor®

Given its critical role in cell mitosis, the tubulin chain represents a viable chemotherapeutic target to solve the specificity issues associated with targeting...

Evaluation and prediction of oral drug absorption and bioequivalence with food-druginteraction

Evaluation and prediction of oral drug absorption and bioequivalence with food-druginteraction

Authors: Tsume Y
Publication: Drug Metab Pharmacokinet
Keywords: bioequivalence, biopredictive dissolution method, food effect, gastroplus, pbbm, PBPK modeling, physiologically based biopharmaceutics
Software: GastroPlus®

This article reviews the impacts on the in vivo prediction of oral bioavailability (BA) and bioequivalence (BE) based on Biopharmaceutical classification systems (BCS)...

Predictive Potential of BCS and Pharmacokinetic Parameters on Study Outcome: Analysis of 198 In Vivo Bioequivalence Studies

Predictive Potential of BCS and Pharmacokinetic Parameters on Study Outcome: Analysis of 198 In Vivo Bioequivalence Studies

Authors: Krajcar D, Grabnar I, Jereb R, Legen I, Opara J
Publication: Eur J Drug Metab Pharmacokinet
Keywords: admet predictor, BCS, gastroplus, Peff, permeability
Software: GastroPlus®

Understanding predictive potential of parameters to perform early bioequivalence (BE) risk assessment is crucial for good planning and risk mitigation during product...

A comprehensive regulatory and industry review of modeling and simulation practices in oncology clinical drug development

A comprehensive regulatory and industry review of modeling and simulation practices in oncology clinical drug development

Authors: Ruiz-Garcia A, Baverel P, Dolton MJ, González-García I, Kim J, Robey S, Singh I, Wu SP, Yin D, Zhou D, Zhu H, Bonate P
Publication: J Pharmacokinet Pharmacodyn
Keywords: clinical drug development, drug exposure, exposure-response, Oncology
Division: Clinical Pharmacology and Pharmacometrics (CPP)

Exposure-response (E-R) analyses are an integral component in the development of oncology products.

SeDeM expert system with I-optimal mixture design for oral multiparticulate drug delivery: An encapsulated floating minitablets of loxoprofen Na and its in silico physiologically based pharmacokinetic modeling

SeDeM expert system with I-optimal mixture design for oral multiparticulate drug delivery: An encapsulated floating minitablets of loxoprofen Na and its in silico physiologically based pharmacokinetic modeling

Authors: Rauf-Ur-Rehman, Shoaib MH, Ahmed FR, Yousuf RI, Siddiqui F, Saleem MT, Qazi F, Khan MZ, Irshad A, Bashir L, Naz S, Farooq M, Mahmood ZA
Publication: Front Pharmacol
Keywords: ai, gastro-retentive, gastroplus, pbbm, PBPK modeling, physiologically based biopharmaceutics
Software: GastroPlus®

Introduction: A SeDeM expert tool-driven I-optimal mixture design has been used to develop a directly compressible multiparticulate based extended release minitablets...

Physiologically Based Pharmacokinetic Modeling Characterizes the Drug-Drug Interaction Between Saxagliptin and Rifampicin in Patients With Renal Impairment

Physiologically Based Pharmacokinetic Modeling Characterizes the Drug-Drug Interaction Between Saxagliptin and Rifampicin in Patients With Renal Impairment

Authors: Wu W, Lin R, Ke M, Ye L, Lin C
Publication: J Clin Pharmacol
Keywords: ddI, disease population, dose selection, gastroplus, PBPK modeling, physiologically based pharmacokinetics
Software: GastroPlus®

The aim of the present study is to develop physiologically based pharmacokinetic (PBPK) models for saxagliptin and its active metabolite, 5-hydroxy saxagliptin...

A hybrid framework of artificial intelligence-based neural network model (ANN) and central composite design (CCD) in quality by design formulation development of orodispersible moxifloxacin tablets: Physicochemical evaluation, compaction analysis, and its in-silico PBPK modeling

A hybrid framework of artificial intelligence-based neural network model (ANN) and central composite design (CCD) in quality by design formulation development of orodispersible moxifloxacin tablets: Physicochemical evaluation, compaction analysis, and its in-silico PBPK modeling

Authors: Khan MZ, Yousuf RI, Shoaib MH, Ahmed FR, Saleem MT, Siddiqui F, Rizvi SA
Publication: J Drug Deliv Sci Technol
Keywords: ai, gastroplus, intraoral, pbbm, PBPK modeling, physiologically based biopharmaceutics, qbd, vbe, virtual bioequivalence
Software: GastroPlus®

The objective was to apply the CCD-ANN system to design a QbD-based orodispersible tablet (ODT) of Moxifloxacin. The data sets of the trial formulations...

Acalabrutinib Maleate Tablets: The Physiologically Based Biopharmaceutics Model behind the Drug Product Dissolution Specification

Acalabrutinib Maleate Tablets: The Physiologically Based Biopharmaceutics Model behind the Drug Product Dissolution Specification

Authors: Pepin X, McAlpine V, Moir A, Mann J
Publication: Mol Pharm
Keywords: biopharmaceutics, drug product specifications, gastroplus, pbbm, PBPK modeling, physiologically based pharmacokinetics, PK/PD, safe space
Software: GastroPlus®
Division: PBPK

Acalabrutinib maleate tablets correspond to an improved formulation compared to acalabrutinib capsules as they can be dosed with and without acid reducing agents...