Simcyp focused workshop: Use of Simcyp in Drug Discovery

Venue: Copthorne Hotel

Location: Sheffield, United Kingdom

Event Date/Time: Feb 08, 2012 End Date/Time: Feb 09, 2012
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The workshop will highlight how the Simcyp Simulator can be used to prioritise compounds based on the data available early in the drug discovery process. Working through case studies, attendees will use the dynamic models within Simcyp to select compounds which should be progressed to the next stage. As more information becomes available during the exercise predictions will be refined allowing some compounds to be progressed to humans. Data from first-in-human (FIH) studies will be compared with the simulations and any differences will be rationalised using parameter estimation.
Key aspects covered in this course:
• Prediction of Simcyp inputs from physicochemical properties
• Use of limited clearance data to prioritise compounds for further investigation (in vitro – in vivo extrapolation (IVIVE))
• Consideration of drug-drug interaction potential of compounds
• Use of Simcyp animal modules for predicting exposure in toxicity studies (including use of the mechanistic Peff model that allows prediction of effective permeability from physicochemical properties alone)
• Prediction of tissue distribution from physicochemical data
• Selection of appropriate distribution models in human using
pre-clinical data
The course is ideal for scientists working in DMPK drug discovery departments.
The Simcyp Population-based Simulator and Simcyp Animal Simulators will be used throughout the workshops. Delegates will be guided through the hands-on exercises, so prior experience with the Simcyp Simulator is not required; however, advanced Simcyp users will benefit from exploring the science and specific algorithms in more depth through discussions with tutors and peers.