CRESPAN E

Suggestions derived from a previous ligand-based ligand design approach and docking calcns. aimed at finding compd. with affinity toward Abl and mol. scaffolds previously untested as Abl inhibitors, led to the identification of com. available N-(thiazol-2-yl)-2-thiophene carboxamide derivs. with affinity in a cell-free assay up to low nanomolar...

Pim1 belongs to a family of serine/threonine kinases, which is involved in the control of cell growth, differentiation, and apoptosis. Pim1 plays a pivotal role in cytokine signaling and is implicated in the development of a large number of tumors, representing a very attractive target for anticancer therapy. In this work, we applied a virtual...

A series of substituted benzoylamino-2-[(4-benzyl)thio]-1,3,4-thiadiazoles has been discovered as potent Abl tyrosine kinase inhibitors. Mol. docking simulations on the Abl tyrosine kinase were conducted to rationalize the SAR of the synthesized inhibitors. The most active compd. identified from the enzymic screening (6a) showed interesting...