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APTI WEBINAR Presented by Chandramouli R GastroPlus HANDS-ON

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Page 1: G as t r o P l u saptiindia.org/pdf/MS-Session2.pdfd en si ty , d i f f u si on coef f i ci en t, l og P ( or l og D at a sp eci f i ed p H ) I f th e d r u g mol ecu l e h as on e

APTI WEBINAR

Presented by Chandramouli R

GastroPlusHANDS-ON

Page 2: G as t r o P l u saptiindia.org/pdf/MS-Session2.pdfd en si ty , d i f f u si on coef f i ci en t, l og P ( or l og D at a sp eci f i ed p H ) I f th e d r u g mol ecu l e h as on e

Presentation Outline

TODAY'S TOPICS

• Recap• Overview of GastroPlus (GP)• Capabilities • Creating your first GP project• HOT-1• HOT-2• HOT-3 (if time permits)• Q&A

Page 3: G as t r o P l u saptiindia.org/pdf/MS-Session2.pdfd en si ty , d i f f u si on coef f i ci en t, l og P ( or l og D at a sp eci f i ed p H ) I f th e d r u g mol ecu l e h as on e

Recap

COMPUTING TOOLS IN PK

PK through the times PK tools are variedChoose a tool based on your needLarger user base better

Page 4: G as t r o P l u saptiindia.org/pdf/MS-Session2.pdfd en si ty , d i f f u si on coef f i ci en t, l og P ( or l og D at a sp eci f i ed p H ) I f th e d r u g mol ecu l e h as on e

GastroPlusOVERVIEW

computer program that simulatesgastrointestinal, ocular and nasaland pulmonary absorption,pharmacokinetics, and optionally,pharmacodynamic effects, fordrugs dosed in humans andanimals.

Page 5: G as t r o P l u saptiindia.org/pdf/MS-Session2.pdfd en si ty , d i f f u si on coef f i ci en t, l og P ( or l og D at a sp eci f i ed p H ) I f th e d r u g mol ecu l e h as on e

BASICone-, two-, or three-compartmentpharmacokineticmodel allowsprediction of plasma concentration(Cp)-time profiles withappropriate inputs, accounting for theinteractions betweenabsorption andpharmacokineticsseen with many drugs

ADVANCEDACAT & PBPK model prediction of drugdistribution intovarious tissues as wellas simulatingclearance profilesspecific to giventissues

ADD-INSOptimization IVIVCModule Metabolism andTransporter PKPlusPDPlusPBPKPlusADMET PredictorDDI-Drug-Drug Interaction Biologics Additional Dosage Routes

GastroPlus capabilities

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PWhen GastroPlus is started, a single window appears on the screen. This window contains the horizontal Main Menu bar with the items: File, Edit, Database, Simulation Setup, Controlled Release, Modules (Optional), and Help. The window is divided into thefollowing five Tabs: Compound , Physiology , Pharmacokinetics , Simulation , and Graph .

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REQUEST

THANKS FOR YOUR PATIENCE

Due to swapping of Screencast the video-feed mightlag temporarily

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Creating your first GastroPlus project 

DEMO | 10 MINS

Creating a new drug databaseimporting a structure filepredicting the physio-chemical & ADMET properties

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Predict the fraction absorbed of a drug using in vitro properties

HANDS ON 1 | 10 MINS

following inputs are required: dose, dosage form, solubility, dose particle radius, dose particledensity, diffusion coefficient, logP (or logD at a specified pH) If the drug molecule has one or more ionizable groups, the pKa’s and the pH at which thesolubility was measured are also required input parameters Drug: Propranolol HCl

Page 10: G as t r o P l u saptiindia.org/pdf/MS-Session2.pdfd en si ty , d i f f u si on coef f i ci en t, l og P ( or l og D at a sp eci f i ed p H ) I f th e d r u g mol ecu l e h as on e

Controlled release

HANDS ON 2 | 15 MINS

simulate the behavior of different dosage forms, including iv bolus, iv infusion, tablet, capsule,solution, suspension, and several forms of controlled release. controlled release to include similar terms used in the industry such as modified release (MR),delayed release (DR) and time release (TR) Drug: Propranolol CR

Page 11: G as t r o P l u saptiindia.org/pdf/MS-Session2.pdfd en si ty , d i f f u si on coef f i ci en t, l og P ( or l og D at a sp eci f i ed p H ) I f th e d r u g mol ecu l e h as on e

Controlled release

HANDS ON 2 | 15 MINS

simulate the behavior of different dosage forms, including iv bolus, iv infusion, tablet, capsule,solution, suspension, and several forms of controlled release. controlled release to include similar terms used in the industry such as modified release (MR),delayed release (DR) and time release (TR) Drug: Propranolol CR

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Population Simulator

HANDS ON 3 | 15 MINS

combined effects of variations in physiology and pharmacokinetics within populations, as wellas formulation variables that are not precise values, but for which distributions of values can beestimated. A population simulation is a simulated clinical trial with up to 2,500 virtual subjects Each subject is randomly (“Monte Carlo”) generated to have a unique set of transit times,gastrointestinal pH’s, PK parameters, plasma protein binding, small intestine length and radius,stomach volume, caecum length and radius, colon length and radius, hepatic blood flow rate,and pharmacokinetic parameters. The variations in each variable are generated by randomsampling of each variable within its defined distribution for each simulated virtual subject.

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Contact

KRUPANIDIHI COLLEGE OF PHARMACY

EMAIL ADDRESS

12/1 Chikkabellandur, Carmelram Post, Bangalore, 500035, KA

[email protected]

M&F Architects 2020