Enamine screening collection
StarDrop users who have licensed the Surflex eSim3D module can freely download prepared virtual screening collections for use in StarDrop. Enamine’s commercially available screening…
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.
Would you like to try it yourself?
To try this example yourself, download the example project file and follow the step-by-step guidelines.
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
More resources
MolPort screening collection
StarDrop users who have licensed the Surflex eSim3D module can freely download prepared virtual screening collections for use in StarDrop. MolPort’s commercially available screening…
eMolecules screening collection
StarDrop users who have licensed the Surflex eSim3D module can freely download prepared virtual screening collections for use in StarDrop. eMolecules‘ commercially available screening…