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Scaffold-hopping using SENSAAS-Bioisostere

The web server is freely accessible to all users, including commercial users.

References:

• Somme L., Es Saim Y., Payan F. and Douguet D., SENSAAS-Bioisostere: a computational method for 3D shape-guided bioisosteric replacements and scaffold-hopping, Eur J Med Chem., 2026 (in press).

  doi: 10.1016/j.ejmech.2026.119041

• The source code and documentation are available at Download page.

Tutorials:

• Example of scaffold-hopping of type 4 to optimize the AZ20 inhibitor of ATR kinase - the opposite also works

• Example of scaffold-hopping of type 4 to optimize a macrocyclic natural product

• Example of scaffold-hopping of type 4 to optimize an inhibitor of EP300

• Example of scaffold-hopping of type 4 to optimize inhibitors of KRAS

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