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.