Fast follower: optimising P450 metabolic stability

In this example we will explore the feasibility of pursuing a fast-follower for Buspirone, a 5-HT1A ligand used as an anti-anxiolytic therapeutic, which has a known liability due to rapid metabolism by CYP3A4. This example illustrates the use of StarDrop’s P450 metabolism models to explore structural modifications with the aim of identifying potent analogues with significantly improved stability with respect to CYP3A4.

Depending on which version of StarDrop you have the results may appear slightly differently, due to changes in the underlying knowledgebase. Therefore, if you would like a different version of the PDF instructions to match your StarDrop version, please contact support@optibrium.com.

Would you like to try it yourself?

To try this example yourself, download the example project file and follow the step-by-step guidelines.

Download project file
Download step-by-step guide

Please note that the tutorial explores core features of StarDrop and the Inspyra module. If you don’t have access to these modules and would like to arrange a free trial license, please email us at info@optibrium.com

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