The study of a number of 1- and 2-alkyl derivatives of the 4- aminopyrazolo[3,4-d]pyrimidine (APP) nucleus and their evaluation as inhibitors of bovine spleen ADA are reported. The 2-substituted APP compounds proved to be potent inhibitors, most of them exhibiting Ki values in the nanomolar/subnanomolar range. Docking simulations into the ADA binding site were also performed, in order to rationalize the SARs of this class of inhibitors.
Novel Highly Potent Adenosine Deaminase Inhibitors Containing the Pyrazolo[3,4-d]pyrimidine Ring System. Synthesis, Structure-Activity Relationships and Molecular Modeling Studies
DA SETTIMO PASSETTI, FEDERICO;LA MOTTA, CONCETTINA;TALIANI, SABRINA;SIMORINI, FRANCESCA;MARINI, ANNA MARIA;
2005-01-01
Abstract
The study of a number of 1- and 2-alkyl derivatives of the 4- aminopyrazolo[3,4-d]pyrimidine (APP) nucleus and their evaluation as inhibitors of bovine spleen ADA are reported. The 2-substituted APP compounds proved to be potent inhibitors, most of them exhibiting Ki values in the nanomolar/subnanomolar range. Docking simulations into the ADA binding site were also performed, in order to rationalize the SARs of this class of inhibitors.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
