Identification of potential inhibitors of SARS-CoV-2 papain-like protease from tropane alkaloids from Schizanthus porrigens: A molecular docking study

[Display omitted] •Antivirals against SARS-CoV-2 are needed.•The papain-like protease represents an important target for antivirals.•We investigated tropane alkaloids from Schizanthus porrigens.•By molecular docking and MS simulations we identified two leads.•Shizanthine Z has favorable ADME propert...

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Veröffentlicht in:	Chemical physics letters 2020-12, Vol.761, p.138068-138068, Article 138068
Hauptverfasser:	Alfaro, Marco, Alfaro, Ignacio, Angel, Constanza
Format:	Artikel
Sprache:	eng
Schlagworte:	Molecular docking Research Paper SARS-CoV-2 Schizanthus porrigens Tropane alkaloids
Online-Zugang:	Volltext
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