Computational scaffold hopping: cornerstone for the future of drug design?

Computational Exploration of Molecular Scaffolds in Medicinal Chemistry

(2016) Ye Hu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Recent Advances in Scaffold Hopping

(2016) Ye Hu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Novel Scaffold Fingerprint (SFP): Applications in Scaffold Hopping and Scaffold-Based Selection of Diverse Compounds

(2015) Obdulia Rabal et al.   Journal of Chemical Information and Modeling

Quantifying the Tendency of Therapeutic Target Proteins to Bind Promiscuous or Selective Compounds

(2015) Ye Hu et al.   PLoS One

Rational hopping of a peptidic scaffold into non-peptidic scaffolds: structurally novel potent proteasome inhibitors derived from a natural product, belactosin A

(2014) Shuhei Kawamura et al.   CHEMICAL COMMUNICATIONS

Intuitive Ordering of Scaffolds and Scaffold Similarity Searching Using Scaffold Keys

(2014) Peter Ertl   Journal of Chemical Information and Modeling

Scaffold Hopping by Fragment Replacement

(2013) Mikko J. Vainio et al.   Journal of Chemical Information and Modeling

Molecular Similarity in Medicinal Chemistry

(2013) Gerald Maggiora et al.   JOURNAL OF MEDICINAL CHEMISTRY

Rethinking Molecular Similarity: Comparing Compounds on the Basis of Biological Activity

(2012) Paula M. Petrone et al.   ACS Chemical Biology

Database of bioactive ring systems with calculated properties and its use in bioisosteric design and scaffold hopping

(2012) Peter Ertl   BIOORGANIC & MEDICINAL CHEMISTRY

Fragment-Hopping-Based Discovery of a Novel Chemical Series of Proto-Oncogene PIM-1 Kinase Inhibitors

(2012) Gustavo Saluste et al.   PLoS One

Global assessment of scaffold hopping potential for current pharmaceutical targets

(2010) Ye Hu et al.   MedChemComm