SPROUT is an effective tool for the design of drug-like, biologically
active molecules. It is an interactive system that can assist in
several stages of the structure-based rational drug design process.
The system is modularized and offers automatic methods for solving a
number of problems in drug design. Powerfully, the user maintains
control and is able to guide and modify each module for maximum
versatility. SPROUT is the only de novo ligand design tool guaranteed
to find all solutions within the constraints defined by the input
* Detection of potential binding pockets.
* Identification of favourable interaction regions for various forces,
including: hydrogen bonding, hydrophobic, metal ion and
covalent bonding interactions.
* Docking of functional groups to the target sites.
* Building novel chemical structures by fragment joining to fulfill the
chemical and steric constraints of the binding site.
* Scoring, sorting and clustering of the results.
135 Queen's Plate Drive
M9W 6V1, Canada
Telephone +1 (416) 741 4263
FAX +1 (416) 741 5084
eHiTS: Electronic High Throughput Screening
Summary by 李晓霞 on 2001-10-09
Last updated by 李晓霞 on 2003-05-19