Synthesis and biological evaluations against Cruzipain of new compounds based on 2D Virtual Screening

SAIZ CECILIA; PIZZO CHIARA; TALEVI ALAN; BELLERA CAROLINA; GAVERNET LUCIANA; BRUNO BLANCH LUIS E.; CAZZULO JUAN; CHIDICHIMO AGUSTINA; MANTA EDUARDO; WIPF PETER; MAHLER GRACIELA

Trieste, italia

Conferencia; 2nd Conference on Drug Development for the Third Word: From computacional Biology to Experimental Approaches; 2009

The present work describes the selection and synthesis of novel potential cruzipain inhibitors based on computational tools. A Virtual Screening (VS) strategy was applied over on 537,503 chemical structures from ZINC 5 database to select new cruzipain inhibitors