Rita Guedes Lab

Our research activities are concerned with the application of computational methods like homology modelling, docking, screening, pharmacophores, de novo design, molecular dynamics and quantum mechanics to discover, develop and optimise new therapeutic drugs. The molecular modeling group (led by Dr. Rita C. Guedes) is part of the Medicinal Chemistry group (headed by Prof. Dr. Rui Moreira) at iMed.ULisboa. The Medicinal Chemistry group works on a portfolio of pharmaceutically relevant proteins, including targets against for example, inflammation, cancer, metabolic, and neglected tropical diseases. The group combines computer-aided drug design (Dr. Rita C. Guedes) and chemical synthesis (Prof. Rui Moreira, Dr. Francisca Lopes, Dr. Alexandra Paulo, Dr. Maria Santos, Dr. Luis Constantino) with in vitro evaluation to identify novel and robust chemical starting points for chemical biology and lead identification and optimization.