Docking Adenosine Receptor Ligands to SARS-CoV2 mRNA Cap Guanine-N7 Methyltransferase
Keyword(s):
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.
2020 ◽
2020 ◽
2003 ◽
Vol 3
(4)
◽
pp. 369-385
◽
2013 ◽
Vol 13
(9)
◽
pp. 1048-1068
◽
1996 ◽
Vol 17
(3)
◽
pp. 108-113
◽
2018 ◽
Vol 28
(9)
◽
pp. 1484-1489
◽
2003 ◽
Vol 38
(11-12)
◽
pp. 983-990
◽
Keyword(s):