A High-Throughput Virtual Screening Approach to Identifying Novel SARS-CoV-2 Inhibitors
RNA-dependent RNA polymerase (RdRp), is essential in RNA replication within the life cycle of the severe acute respiratory coronavirus-2 (SARS-CoV-2), causing the deadly respiratory-induced sickness COVID-19. Remdesivir is a prodrug that has seen some success in inhibiting this enzyme, however there is still the pressing need for effective alternatives.
In this webinar, our guest speaker will present a case study for the discovery of four non-nucleoside small molecules that bind favorably to SARS-CoV-2 RdRp over the active form of the popular drug remdesivir (RTP) and adenosine triphosphate by utilizing high-throughput virtual screening (HTVS) against the vast ZINC compound database (~17 million molecules) coupled with extensive molecular dynamics (MD) simulations.
Attend this webinar to:
- Learn about ligand—receptor complex structure using molecular docking methods
- Explore a high-throughput screening method to determine novel binding molecules to SARS-CoV-2 RdRp
- Discover methods to incorporate homology modeling and MD simulations in conjunction with a high-throughput drug discovery approach
