Since 1997 MCDR leads the molecular modelling and drug discovery unit at SCITEC Secondary Section of Rome. Her scientific activity focuses on computational simulations aimed to study structure, function and properties of biological systems involved in pathological diseases and characterize ligand-protein and protein-protein molecular recognition for drug design strategies. The computational chemistry facility at SCITEC-Rome consists of a cluster of workstations equipped with the most performant and advanced commercial and academic software for protein modelling, molecular dynamics simulations, virtual screening, rational drug design. Among the most important findings of her research activity the patenting of few small molecules able to selectively block the immune response to the self antigen in rheumatoid arthritis and the patenting of novel kinase inhibitors which displayed activity against solid tumours.
PROJECTS
-CNCCS Project “Identification of new molecules with therapeutic potential against Zika virus and other emerging viruses”, ZIKA, responsabile UR, 2018-2020
-PRIN 2017 “Targeting Hedgehog pathway: Virtual screening identification and sustainable synthesis of novel Smo and Gli inhibitors and their pharmacological drug delivery strategies for improved therapeutic affects in tumors”, TargHed, Prof. Giancarlo Fabrizi, partecipante, 2019-2022
-Progetto CNCCS “Development of technological and scientific platform and molecular libraries at high innovative content applied to rare and neglected diseases”, head UR, 2014-2015
-Progetto CNCCS “Research center of new drugs for rare, neglected and poverty diseases”, head UR, 2012-2013
-PRIN 2010-2011 “Neurodegeneration versus Neuroprotection: Role of estrogen- induced neuroglobin expression”, Prof. Paolo Ascenzi, partecipante, 2012-2014
-Bilateral project CNR/CNRS (Francia) “Molecular and structural studies of the Ser/Thr protein kinase Stkp from human pathogen Streptococcus pneumoniae to develop new antipneumonal drugs” 2011-2012