|
|
Article: Research from University of Siena provides new data about medicinal chemistry.
- Article from:
- Chemicals & Chemistry
- Article date:
- October 17, 2008
CopyrightCOPYRIGHT 2008 NewsRX. This material is published under license from the publisher through the Gale Group, Farmington Hills, Michigan. All inquiries regarding rights should be directed to the Gale Group. (Hide copyright information)
|
According to a study from Siena, Italy, "Suggestions derived from a previous ligand-based ligand design approach and docking calculations aimed at finding compound with affinity toward Abl and molecular scaffolds previously untested as Abl inhibitors, led to the identification of commercially available N-(thiazol-2-yl)-2-thiophene carboxamide derivatives with affinity in a cell-free assay up to low nanomolar concentrations, significantly enhanced with respect to that of their parent compounds previously reported."
"In particular, among compounds of the Asinex database, molecular docking simulations guided the choice of high-affinity ligands, predicting their ...