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AdenosineReceptorBinders_BindingNSP16_forChemRxiv_v2.pdf (617.24 kB)

Docking Adenosine Receptor Ligands to SARS-CoV2 mRNA Cap 2’-O-Methyltransferase

revised on 23.06.2020, 22:58 and posted on 25.06.2020, 12:31 by David Snyder, Shweta Mehta
This is a computational study using a high resolution crystallographic structure for the SARS-CoV2 mRNA cap 2'-O-methyltransferase (nsp16) and ligands obtained from the ZINC database. Using iGEMDOCK for docking and Desmond/Schrodinger for energy minimization, we identify adenosine receptor binders that potentially bind a previously identified adenosine binding site in SARS-CoV2 nsp16 better than adenosine does, some of which may induce conformational changes in nsp16.


Email Address of Submitting Author


William Paterson University


United States

ORCID For Submitting Author


Declaration of Conflict of Interest

The authors have no conflict of interest to declare.

Version Notes

Changed incorrect name for nsp16 from guanine N7 methyltransferase to 2'-O-methyltransferase