In silico design of novel inhibitors of picornavirus replication


Project description
The Welsh School of Pharmacy are delighted to be part of the EUVIRNA consortium and is offering a PhD studentship on the design, synthesis and evaluation of novel anti-picornaviruses compounds. An in silico drug design approach based on published structures will be used to develop small molecule inhibitors of the (i) 2A and 3C proteases, (ii) 3D RdRP and (iii) dimerization of the 3A protein of several picornaviruses (poliovirus, coxsackievirus, and rhinovirus). Afterperforming the computational studies using advanced molecular modelling software packages, the PhD candidate will also conduct the chemical synthesis most promising molecules. Theprepared compounds will be then evaluated, in collaboration with other EUVIRNA partners, for their inhibitory effect on these proteases in vitro and in vivo and for their inhibitory effect on virus replication. Effective inhibitors will be subjected to further investigation (e.g. structural studies, repeated virus passages in the presence of the drug to investigate drug resistance).

Host institute
Cardiff University
Welsh School of Pharmacy
United Kingdom
Supervisor: Dr. Andrea Brancale

This position has been filled.