Discovery of novel spike/ACE2 inhibitory macrocycles using in silico reinforcement learning

• Main Authors: Lev Shapira (Author), Shaul Lerner (Author), Guila Assayag (Author), Alexandra Vardi (Author), Dikla Haham (Author), Gideon Bar (Author), Vicky Fidelsky Kozokaro (Author), Maayan Elias Robicsek (Author), Immanuel Lerner (Author), Amit Michaeli (Author)
• Format: Book
• Published: Frontiers Media S.A., 2022-12-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Introduction: The COVID-19 pandemic has cast a heavy toll in human lives and global economics. COVID-19 is caused by the SARS-CoV-2 virus, which infects cells via its spike protein binding human ACE2.Methods: To discover potential inhibitory peptidomimetic macrocycles for the spike/ACE2 complex we d...