Modelling and design of inhibitors targeting the interaction between HIV integrase and lens epithelium-derived growth factor
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Dissertation submitted and defended in March 2012 by Sandra Giuliani as a requirement of the MSc in Chemistry and Pharmaceutical Technologies (Corso di Laurea in Chimica e Tecnologia Farmaceutiche), University of Bologna, Italy.
Aim of the work: design of novel inhibitors of the HIV integrase/LEDGF protein-protein interaction
Techniques/approaches: molecular docking (for screening of small-molecule/fragment inhibitors); conformational searching/docking/de novo design of cyclic peptides; molecular dynamics simulations
Research work carried out at: Monash Institute of Pharmaceutical Sciences, Monash University, Australia.
Supervisor: Dr David Chalmers (Monash University)
Thesis Advisor: Prof. Andrea Cavalli (University of Bologna)