Dataset Information

GPKPDSim: a SimBiology^®-based GUI application for PKPD modeling in drug development.

ABSTRACT: Modeling and simulation (M&S) is increasingly used in drug development to characterize pharmacokinetic-pharmacodynamic (PKPD) relationships and support various efforts such as target feasibility assessment, molecule selection, human PK projection, and preclinical and clinical dose and schedule determination. While model development typically require mathematical modeling expertise, model exploration and simulations could in many cases be performed by scientists in various disciplines to support the design, analysis and interpretation of experimental studies. To this end, we have developed a versatile graphical user interface (GUI) application to enable easy use of any model constructed in SimBiology^® to execute various common PKPD analyses. The MATLAB^®-based GUI application, called gPKPDSim, has a single screen interface and provides functionalities including simulation, data fitting (parameter estimation), population simulation (exploring the impact of parameter variability on the outputs of interest), and non-compartmental PK analysis. Further, gPKPDSim is a user-friendly tool with capabilities including interactive visualization, exporting of results and generation of presentation-ready figures. gPKPDSim was designed primarily for use in preclinical and translational drug development, although broader applications exist. gPKPDSim is a MATLAB^®-based open-source application and is publicly available to download from MATLAB^® Central™. We illustrate the use and features of gPKPDSim using multiple PKPD models to demonstrate the wide applications of this tool in pharmaceutical sciences. Overall, gPKPDSim provides an integrated, multi-purpose user-friendly GUI application to enable efficient use of PKPD models by scientists from various disciplines, regardless of their modeling expertise.

SUBMITTER: Hosseini I

PROVIDER: S-EPMC5845055 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

gPKPDSim: a SimBiology<sup>®</sup>-based GUI application for PKPD modeling in drug development.

Hosseini Iraj I Gajjala Anita A Bumbaca Yadav Daniela D Sukumaran Siddharth S Ramanujan Saroja S Paxson Ricardo R Gadkar Kapil K

Journal of pharmacokinetics and pharmacodynamics 20180104 2

Modeling and simulation (M&S) is increasingly used in drug development to characterize pharmacokinetic-pharmacodynamic (PKPD) relationships and support various efforts such as target feasibility assessment, molecule selection, human PK projection, and preclinical and clinical dose and schedule determination. While model development typically require mathematical modeling expertise, model exploration and simulations could in many cases be performed by scientists in various disciplines to support ...[more]

PMID: 29302838

Similar Datasets

Project description:Octavius® -4D is a very effective device in radiotherapy treatment quality assurance (QA), due to its simple set-up and analysis package. However, even if it is widely used, its main characteristics and criticalities were only partially investigated. Taking start from its commissioning, the aim of this work was to study the main dependencies of the device response. The outcome dependence was studied comparing results by different delivery techniques [Intensity Modulated Radiation Therapy, IMRT (n = 29) and RapidArc, RA (n = 15)], anatomical regions [15 head/neck, 19 pelvis and 10 pancreas] and linear accelerators [DHX (n = 14) and Trilogy (n = 30)]. Moreover, the agreement dependency on the section of the phantom was assessed. Plan evaluations obtained by 2D, 3D, and volumetric ?-index (both local and global) were also compared. Generally, high dose gradient resulted critically managed by the assembly, with a smoother effect in RA technique. Worse agreements emerged in the 2D ?-index vs those of 3D and volumetric (P < 0.001), that were instead statistically comparable in global metric (P > 0.300). Volumetric plan evaluation was coherent with the average of passing rates on the 3 phantom axes (r ? 0.9), but transversal section provided best agreements vs sagittal and coronal ones (P < 0.050). The three studied districts furnished comparable results (P > 0.050) while the two LINACs provided different agreements (P < 0.005). The study pointed out that the phantom transversal section better fits the planned dose distribution, so this should be accounted when a two-dimensional evaluation is needed. Moreover, the major reliability of the 3D metric with respect to the 2D one, as it better agrees with the dosimetric evaluation on the whole volume, suggests that it should be preferred in a two-dimensional evaluation. Better agreements, obtained with RA vs IMRT technique, confirm that Octavius® -4D is specifically conceived for rotational delivery. Lastly, the assembly resulted sensitive to different technology.

Dataset Information

GPKPDSim: a SimBiology^®-based GUI application for PKPD modeling in drug development.

Publications

gPKPDSim: a SimBiology<sup>®</sup>-based GUI application for PKPD modeling in drug development.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets

Dataset Information

GPKPDSim: a SimBiology®-based GUI application for PKPD modeling in drug development.

Publications

gPKPDSim: a SimBiology<sup>®</sup>-based GUI application for PKPD modeling in drug development.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets

GPKPDSim: a SimBiology^®-based GUI application for PKPD modeling in drug development.