Docking Adenosine Receptor Ligands to SARS-CoV2 mRNA Cap Guanine-N7 Methyltransferase

12 June 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


This is a computational study using a high resolution crystallographic structure for the SARS-CoV2 mRNA cap guanine-N7 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.


SARS-CoV2 mRNA cap guanine-N7 methyltransferase
Adenosine receptor ligands


Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.