Tue, 27 Oct 2015, 18:00 CET (Berlin)

Dr. Martin Stahl, F. Hoffmann-La Roche AG, Basel, Switzerland

Scaffold hopping in medicinal chemistry — applications using ReCore

This talk will give an overview of the importance of scaffold hopping in practical medicinal chemistry applications. It will introduce the relevance of the topic and potential pitfalls by means of a Roche example that has led to a clinical candidate, and where medicinal chemistry led the design process. It will then switch to computational approaches to scaffold hopping and briefly cover the genesis of ReCore and the underlying CSD-derived fragment database. It will then illustrate the use of ReCore by means of three Roche case studies.

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