Structure-based discovery of inhibitors of Mac1 domain of nonstructural protein-3 of SARS-CoV-2 by machine learning-augmented screening of chemical space

Fuqiang Ban; Rahul Ravichandran; Galen J. Correy; Oleksandra Herasymenko; Madhushika Silva; Suzanne Ackloo; Albina Bolotokova; Irene Chau; Elisa Gibson; Rachel Harding; Ashley Hutchinson; Peter Loppnau; James S. Fraser; Matthieu Schapira; Artem Cherkasov; Francesco Gentile

doi:10.1038/s41598-026-65034-1

Structure-based discovery of inhibitors of Mac1 domain of nonstructural protein-3 of SARS-CoV-2 by machine learning-augmented screening of chemical space

F Fuqiang Ban R Rahul Ravichandran G Galen J. Correy O Oleksandra Herasymenko M Madhushika Silva S Suzanne Ackloo (Structural Genomics Consortium) A Albina Bolotokova I Irene Chau E Elisa Gibson R Rachel Harding A Ashley Hutchinson P Peter Loppnau J James S. Fraser M Matthieu Schapira A Artem Cherkasov (Vancouver Prostate Centre) F Francesco Gentile (Department of Chemistry and Biomolecular Sciences)

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Article Details

Journal Scientific Reports

Volume / Issue Vol. 1, Issue 1

Published August 03, 2026

DOI 10.1038/s41598-026-65034-1

ISSN 2045-2322

Publisher Nature Portfolio

Journal Info

Scientific Reports

Nature Portfolio

ISSN: 2045-2322 Open Access Life Sciences

Authors (16)

F

Fuqiang Ban

R

Rahul Ravichandran

G

Galen J. Correy

O

Oleksandra Herasymenko

M

Madhushika Silva

S

Suzanne Ackloo

Structural Genomics Consortium

A

Albina Bolotokova

I

Irene Chau

E

Elisa Gibson

R

Rachel Harding

A

Ashley Hutchinson

P

Peter Loppnau

J

James S. Fraser

M

Matthieu Schapira

A

Artem Cherkasov

Vancouver Prostate Centre

F

Francesco Gentile

Department of Chemistry and Biomolecular Sciences

Structure-based discovery of inhibitors of Mac1 domain of nonstructural protein-3 of SARS-CoV-2 by machine learning-augmented screening of chemical space

Article Details

Journal Info

Authors (16)

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