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Intermolecular interactions of (A) Demethyloleuropein (B) Neo-nüzhenide (C) Nüzhenide with SARS-CoV-2 main protease. Interaction with Cys145 of the Mpro is considered crucial for inhibition. Nature of interactions: black—hydrogen bonds; yellow—π-sulfur; brown—π-alkyl; blue—alkyl-alkyl interactions.
