%0 Thesis %A Giuliani, Sandra %D 2014 %T Modelling and design of inhibitors targeting the interaction between HIV integrase and lens epithelium-derived growth factor %U https://figshare.com/articles/thesis/Modelling_and_design_of_inhibitors_targeting_the_interaction_between_HIV_integrase_and_lens_epithelium_derived_growth_factor/963586 %R 10.6084/m9.figshare.963586.v1 %2 https://ndownloader.figshare.com/files/3156665 %K hiv %K aids %K hivintegrase %K ledgf %K p75 %K protein-protein interactions %K drug design %K docking %K Molecular docking %K molecular dynamics %K computational chemistry %K virtual screening %K cyclic peptides %K anti-hiv %K Bioinformatics %K Cheminformatics %K Infectious Diseases %K Computational Chemistry %K Structural Biology %K Diseases %X

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)

 

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