Literature summary for 3.4.22.B80 extracted from

Procacci, P.; Macchiagodena, M.; Pagliai, M.; Guarnieri, G.; Iannone, F.
Interaction of hydroxychloroquine with SARS-CoV2 functional proteins using all-atoms non-equilibrium alchemical simulations (2020), Chem. Commun. (Camb.), 56, 8854-8856 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
hydroxychloroquine	using a combination of enhanced sampling molecular dynamics techniques and non-equilibrium alchemical transformations with full atomistic details, hydroxychloroquine is shown to act as a mild inhibitor	Severe acute respiratory syndrome coronavirus 2

Organism

Organism	UniProt	Comment	Textmining
Severe acute respiratory syndrome coronavirus 2	-	SARS-CoV-2	-

Synonyms

Synonyms	Comment	Organism
PLpro	-	Severe acute respiratory syndrome coronavirus 2

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Release 2023.1 (January 2023)