Novel Method for Superior Lead Optimisation – Application to the Antiviral AZT
Lead optimization in drug discovery has changed significantly during the last few years. Structural information on ligand-protein complexes, at atomic resolution, is considered to be extremely important to improve binding affinity. Moreover, the nature and energy of conformational changes of the free ligand in solution, can drive the binding recognition procedure, improving binding efficacy overall. During the webinar, we will discuss the analysis of the antiviral drug Azidothymidine AZT (or Zidovudine ZDT). This compound used as antiretroviral medication to prevent and treat HIV/AIDS and how to combine different NMR observables (NOE, J-couplings, chemical shifts…) for a more accurate conformational analysis.
Speakers
Matteo Pennestri, Ph. D.
Team Leader, PAT and Automation, Pharma Business Unit Bruker BioSpin
Matteo Pennestri obtained his Ph.D. in Biophysical methods at the University of Tor Vergata Rome (collaboration with Merck Sharp and Dohme). Then he moved as NMR spectroscopist in the pharmaceutical industry (MSD and EISAI). After experiencing the pharma sector, he joined as application scientist Agilent Technologies first (ex. Varian) and Bruker afterwards. After joining the Bruker Pharma unit as NMR specialist and Product Manager he recently become Team Leader PAT for Automation and Process Analytical Technology.
Prof. Armando Navarro
Universidade Federal de Pernambuco, Brazil
Armando Navarro got his PhD. in chemistry at the University of Santiago de Compostela. After his post-doctoral studies in the Institut für Organische Chemie he joined the University of Santiago de Compostela where he worked in the development of NMR oriented software. He moved later to the University of Vigo and in 2014 he moved to the University Federal of Pernambuco where he holds currently a full professorship. His research is focused in the development of computational strategies and materials applied the structural elucidation of organic compounds.