Di Pietro, Ornella (Date of defense: 2015-11-06)
The aim of this PhD thesis consists of the synergistic combination of both highly efficient synthetic approaches and molecular modelling tools for the structure-based drug design and synthesis of novel ...
Aledavood, Elnaz (Date of defense: 2021-10-01)
This doctoral thesis is focused on disclosing molecular factors that regulate the functional mechanism of key targets in i) metabolic disorders, such as diabetes and obesity, and ii) tuberculosis (TB). ...
Novo de Oliveira, Ana Luísa (Date of defense: 2013-11-18)
The diversity of functional roles played by heme proteins in all kingdoms of life is to a large extent regulated by the thermodynamic and kinetic properties of their interaction with small gaseous ...
Vázquez Lozano, Javier (Date of defense: 2019-09-13)
Three-dimensional ligand-based virtual screening methods have been used for many years in drug discovery, with a variable success depending on different factors, such as the complexity of the target ...
Zamora Ramírez, William J. (Date of defense: 2019-02-22)
Lipophilicity is a key physicochemical descriptor used to understand the biological profile of (bio)organic compounds, xenobiotics and a broad variety of biochemical, pharmacological, and toxicological ...