title: Scaffold hopping.
abstract: The aim of scaffold hopping is to discover structurally novel compounds starting from known active compounds by modifying the central core structure of the molecule. Scaffold hopping is a central task of modern medicinal chemistry requiring a multitude of techniques, which are discussed in this article. Their application has led to several molecules with chemically completely different core structures, and yet binding to the same receptor. Computational approaches for scaffold hopping highlight the challenges of the field that are still unsolved.:
authors: Molecular Structure and Design, Pharmaceuticals Division, F. Hoffmann-La Roche AG, PRBD-CS, Building 092/3.56B, CH-4070 Basel, Switzerland.
authors: Hans-Joachim
authors: HJ
authors: Böhm
authors: Molecular Structure and Design, Pharmaceuticals Division, F. Hoffmann-La Roche AG, PRBD-CS, Building 092/3.56B, CH-4070 Basel, Switzerland.
authors: Alexander
authors: A
authors: Flohr
authors: Molecular Structure and Design, Pharmaceuticals Division, F. Hoffmann-La Roche AG, PRBD-CS, Building 092/3.56B, CH-4070 Basel, Switzerland. Electronic address:martin.stahl@roche.com.
authors: Martin
authors: M
authors: Stahl