Human cytidine deaminase. Cytidine deaminase (CDA) is a cytosolic enzyme which catalyzes the hydrolytic deamination of cytidine to uridine. CDA causes the degradation of several cytidine based compounds potentially active as anticancer or antiviral agents. Our research, in collaboration with the laboratory of Prof. Alberto Vita (University of Camerino, Italy) focuses on the determination of the structure-function relationships of the human CDA and on the development of selective CDA inhibitors.? We are currently conducting a structure-based virtual screening intended to identify novel CDA ligands. The study aims also at improving virtual screening algorithms in order to increase the yield of true hits and minimize the number of false positives.? ? Janus kinases. Janus kinases (JAKs) are a family of four cytoplasmic tyrosine kinases involved in signaling by various cytokines and interferons.? We conducted molecular modeling studies aimed at the characterization of the molecular determinants of ligand recognition by JAKs. In particular, we studied the conformational and stereochemical requirement for binding to JAK3. Furthermore, by means of docking studies, we compared the complexes of a potent inhibitor with JAK3 and JAK2.
| Costanzi, Stefano; Vincenzetti, Silvia; Cristalli, Gloria et al. (2006) Human cytidine deaminase: a three-dimensional homology model of a tetrameric metallo-enzyme inferred from the crystal structure of a distantly related dimeric homologue. J Mol Graph Model 25:10-6 |
