Table 3.

Molecular docking results of FDA drugs with the mutant SARS-CoV-2 helicase.

Drug name	Glide energy	Glide emodel	XP GScore	XP HBond	XP Lipophilic EvdW	XP Electro	MMGBSA dG Bind
Cangrelor	−61.855	−80.025	−11.348	−3.892	−2.454	−1.993	−42.61
Leucovorin	−51.466	−68.458	−8.285	−3.830	−1.819	−1.376	−29.14
Polydatin	−42.337	−60.146	−8.072	−4.454	−2.079	−1.723	−53.16
Fludarabine	−44.222	−55.772	−7.176	−2.962	−1.199	−1.465	−23.13
Folic acid	−50.778	−71.383	−7.001	−2.983	−1.804	−1.162	−34.18
Methotrexate	−51.585	−67.232	−6.626	−2.279	−1.856	−1.159	−36.97
Milrinone	−30.945	−40.789	−6.253	−0.944	−3.173	−0.296	−36.10

Drugs interacted with both enzymes are shown in bold. Values are in kcal/mol.