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Potential Non-Covalent SARS-CoV-2 3C-like Protease Inhibitors Designed Using Generative Deep Learning Approaches and Reviewed by Human Medicinal Chemist in Virtual Reality

2020-05-19

Abstract excerpt

One of the most important SARS-CoV-2 protein targets for therapeutics is the 3C-like protease (main protease, Mpro). In our previous work1we used the first Mpro crystal structure to become available, 6LU7. On February 4, 2020 Insilico Medicine released the first potential novel protease inhibitors designed using a de novo,AI-driven generative chemistry approach. Nearly 100 X-ray structures of Mpro co-crystalliz...

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Literature Corpus work: d4a61608-7c8e-5285-b865-cad6decd2a73
DOI: 10.26434/chemrxiv.12301457.v1

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