Literature summary for 3.4.22.69 extracted from

Choudhury, M.; Dhanabalan, A.; Goswami, N.
Understanding the binding mechanism for potential inhibition of SARS-CoV-2 Mpro and exploring the modes of ACE2 inhibition by hydroxychloroquine (2021), J. Cell. Biochem., 123, 347-358 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
lopinavir	displays hydrogen bond interactions with residues Thr26, Thr24, and a glide score of -6.12 kcal/mol and glide energy of -51.77 kcal/mol	Severe acute respiratory syndrome coronavirus 2
remdesivir	displays hydrogen bond interactions with residues Gln189, Thr26, Gly143, Glu166, and a glide score of -6.97 kcal/mol and glide energy of -55.35 kcal/mol	Severe acute respiratory syndrome coronavirus 2
ritonavir	displays hydrogen bond interactions with residues Gly143, Asn142, Glu166, Gln189, and a glide score of -10.4 kcal/mol and glide energy of -7.3 kcal/mol	Severe acute respiratory syndrome coronavirus 2

Organism

Organism	UniProt	Comment	Textmining
Severe acute respiratory syndrome coronavirus 2	P0DTD1	-	-

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Release 2023.1 (January 2023)