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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

Dr. Chun Wu
Dr. Chun Wu
Associate Professor, Departments of Chemistry & Biochemistry and the Biological Biomedical Sciences – Rowan University
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