Publications by authors named "Dylan J Brunt"
Article Synopsis
- The study analyzed how Remdesivir's active form (RTP) interacts with the RNA-dependent RNA Polymerase (RdRp) of the SARS-CoV-2 virus using molecular dynamics simulations.
- The results confirmed that RTP maintained the binding interactions previously identified in experimental structures.
- New analogues of RTP were designed, which not only bind more strongly to the RNA primer strand but may also effectively terminate primer strand growth due to their specific modifications.
The RNA-dependent RNA polymerase (RdRp) is a key enzyme which regulates the viral replication of SARS-CoV-2. Remdesivir (RDV) is clinically used drug which targets RdRp, however its mechanism of action remains elusive. This study aims to find out the binding dynamics of active Remdesivir-triphosphate (RDV-TP) to RdRp by means of molecular dynamics (MD) simulation.
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