Design of antivirals for SARA based on polypharmacology S0800099D

It is essential to design antivirals capable of simultaneously inhibiting various coronaviruses, thus introducing a series of molecules that can act as the first line of shock in SARS-CoV-2 mutations and in future pandemics. For this, it is essential to locate targets with high similarity, well characterized structurally, and perform a virtual screening of millions of compounds, a task that is only possible with the massive use of supercomputing. With this objective, we have formed a team with extensive experience in the development and massive application of software in pharmacological studies, as well as in chemical synthesis and medical chemistry. The selected and synthesized compounds will be tested in different projects already underway (to which we will transfer the molecules): the Grifols-Irsicaixa consortium and the UK's national synchrotron center, Diamond.