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. 2021 Oct 5;76(2):785–796. doi: 10.1007/s11696-021-01899-y

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© Institute of Chemistry, Slovak Academy of Sciences 2021

This article is made available via the PMC Open Access Subset for unrestricted research re-use and secondary analysis in any form or by any means with acknowledgement of the original source. These permissions are granted for the duration of the World Health Organization (WHO) declaration of COVID-19 as a global pandemic.

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Fig. 1 — Virtual Docking of C33, 3-O-(6-galloylglucoside) and remdesivir against Mpro of SARS CoV 2. a Validation of virtual docking steps. The superimposition of the re-docked (cyan) and native (pink) Ligands yields an RMSD value of 0.101 Å. The 2D and 3D molecular interactions of 3-O-(6-galloylglucoside) (b, e), C33 (c, f), and Remdesivir (d, g)