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Applied Biological Chemistry
Fig. 4 | Applied Biological Chemistry

Fig. 4

From: SARS-CoV-2 main protease inhibitors from the stem barks of Discoglypremna caloneura (Pax) Prain (Euphorbiaceae) and Pterocarpus erinaceus Poir (Fabaceae) and their molecular docking investigation

Fig. 4

Molecular docking simulation results of Friedelin and its derivatives against SARS-CoV-2 Mpro. a Friedelin, b R form of Acetoreduced friedelin, c R from of Acetoxy friedelin. d Superimpose of all three compounds. Yellow dotted line indicates close contact within 3.5 Å between compound and Mpro. S1, S2, and S3 indicates the binding pocket of Mpro which interacts with P1, P2, P3 residue of the peptide substrate, respectively

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