Literature summary for 3.4.22.B80 extracted from

Phong, N.V.; Trang, N.M.; Quyen, C.T.; Anh, H.L.T.; Vinh, L.B.
SARS-CoV-2 main protease and papain-like protease inhibition by abietane-type diterpenes isolated from the branches of Glyptostrobus pensilis using molecular docking studies (2022), Nat. Prod. Res., 2022, 1-8 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
deoxyneocryptotanshinone	moderate effect on SARS-CoV-2 PLpro with binding affinity values of -6.1 kcal/mol	Severe acute respiratory syndrome coronavirus 2
dihydrotanshinone	binding affinity -7.3 kcal/mol, interacts with amino acid residues Ser180 and Cis181	Severe acute respiratory syndrome coronavirus 2
tanshinone A	binding affinity -7.2 kcal/mol, interacts with amino acid residues Ser180 and Cis181	Severe acute respiratory syndrome coronavirus 2
tanshinone B	moderate effect on SARS-CoV-2 PLpro with binding affinity values of -6.1 kcal/mol	Severe acute respiratory syndrome coronavirus 2
tanshinone C	binding affinity -7.1 kcal/mol, interacts with amino acid residues Ser180 and Cis181	Severe acute respiratory syndrome coronavirus 2

Organism

Organism	UniProt	Comment	Textmining
Severe acute respiratory syndrome coronavirus 2	P0DTD1	replicase polyprotein 1ab	-

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Release 2023.1 (January 2023)