ReCore

Overview

ReCore is an index-based software for re-scaffolding. Based on a biologically active molecule, part of the molecule can be interactively marked and replaced by geometrically fitting fragments. ReCore also enables the consideration of pharmacophoric constraints. Through its connection to the Cambridge Structure Database (CSD), low-energy conformers can be generated. The tool can be operated nearly completely interactively due to the indexing. Learn more at https://www.biosolveit.de/SeeSAR/#ReCore.

Software Availability

ReCore is part of the SeeSAR software. A standalone version of SeeSAR can be licensed at https://www.biosolveit.de/SeeSAR.

References

Maass, P.; Schulz-Gasch, T.; Stahl, M.; Rarey, M. Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations. J Chem Inf Model 2007, 47 (2), 390-399. DOI: https://doi.org/10.1021/ci060094h