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The Simcyp Simulator
The Simcyp Population-based ADME Simulator is the pharmaceutical industry's most sophisticated platform for the prediction of drug-drug interactions and pharmacokinetic outcomes in clinical populations.
It contains numerous databases containing human physiological, genetic and epidemiological information. By integrating this information with your in vitro data, the Simulator allows you to predict pharmacokinetic behaviour in ‘real-world’ populations. This automated prediction of in vivo outcomes accelerates the assessment of large numbers of compounds, saving time and cost.
The Simcyp Population Based ADME Simulator provides valuable information for key management decisions relating to clinical trial design, clinical trial avoidance, and drug-drug interaction (DDI) information for the Summary of Product Characteristics (SPCs) and Prescribing Information sheets.
The Simcyp Simulator can also identify key pre-clinical data requirements, which can prove extremely valuable for redefining and optimising early drug development processes and procedures.
Key features of the Simulator:
- Fast
- User-friendly
- Up-to-date
- Transparent methods
- Cost-saving
- Time-saving
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Key features |
Key benefits |
- Automated in vitro extrapolation to predict in vivo outcomes, supporting the assessment of large numbers of compounds metabolised by multiple enzymes
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- Facilitates drug development by optimising the nomination of candidate drugs and the selection and design of in vivo studies, saving time and money
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- Incorporates inter-subject physiological variability
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- Allows prediction of drug disposition in real-world populations
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- High speed, user friendly desk-top application
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- Rapid identification of the mix of characteristics of individuals at greatest risk
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- Batch processing facility
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- Automates multiple simulations so a large number can be run in succession without further user input. This has proved particularly useful for sensitivity analysis.
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- Transparent algorithms and methodology and easily understood visual outputs through a variety of graphics interfaces
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- User-friendly and informative
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- Incorporates leading-edge science with continually updated databases
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- Your outputs are up-to-date, based on the latest scientific data
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- Consortium members guide the development of the Simulator and share 'best practice'
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- Simulator meets the current and future needs of the global pharmaceutical industry
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- Supported by scientific and technical teams
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- Help and advice at the end of the telephone
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Simcyp Population-based ADME Simulator, Version 10.0
Extensive research and development has been performed in 2009/2010 and several changes have been made to enhance the capability and improve performance of the Simulator. These modifications were determined in consultation with the Simcyp Consortium and include:
- Mechanistic scaling factors for transporters – including implementation of the liver sinusoidal efflux transporter, ABCC3 (MRP3)
- ADAM capabilities for main inhibitor – facilitating the investigation of the influence of a variety of controlled/modified release formulations or dissolution profiles on drug-drug interactions along the gut resulting in more mechanistic predictions
- DDIs using clinical PK inputs – the Simcyp retrograde model now provides users with the option of specifying in vivo fms. Furthermore, a number of Simulator compound files have been refined and optimised to improve their performance against observed data
- Competitive inhibitory function for transporters – this functionality has been added to all efflux and uptake transporters in the gut and liver
- Addition of other non-CYP gut/hepatic metabolic routes – data obtained using cytosolic or S9 tissue fractions from the liver, intestine or kidney can now be incorporated. Additional data on the regional distribution of cytosolic and S9 enzymes in the gut have been incorporated and differential expression of CYP and microsomal protein considered.
In addition to implementation of the 2008 wish list, the Simcyp team has also made other modifications to enhance the Simulator. These include adjustments to the ADAM model so that large tablets are handled independent of gastric emptying and the precipitation of solutions is allowed.
If you have any questions about Version 10.0 please do get in touch using the contact us form on the website.