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

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

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...

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Bibliographic Details
Main Authors: Lev Shapira, Shaul Lerner, Guila Assayag, Alexandra Vardi, Dikla Haham, Gideon Bar, Vicky Fidelsky Kozokaro, Maayan Elias Robicsek, Immanuel Lerner, Amit Michaeli
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-12-01
Series:Frontiers in Drug Discovery
Subjects:
macrocycle
peptidomimetic
SARS-CoV-2
inhibitor
screening
spike
Online Access:https://www.frontiersin.org/articles/10.3389/fddsv.2022.1085701/full

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https://www.frontiersin.org/articles/10.3389/fddsv.2022.1085701/full

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