Table 1 The Bold highlighted residues (ASN 394, TYR 385, ASP 382, HIS 401, ASP 350, ARG 393) show hydrophilic interaction while other residues are showing hydrophobic interaction.
From: Arylcoumarin perturbs SARS-CoV-2 pathogenesis by targeting the S-protein/ACE2 interaction
Compounds | Docking score (kcal/mol) | Interacting residues of ACE2 |
|---|---|---|
NF1 | − 12.1 | PHE 40, PHE 390, ARG 393, ASN 394, TYR 385, ASP 382, HIS 401, ALA 348, TRP 349, PRO 346, HIS 345 |
NF12 | − 10.1 | PHE 40, PHE 390, ARG 393, HIS 401, PRO 346 |
NF13 | − 10.3 | HIS 401, HIS 378, ASP 350, ARG 393, PHE 390, LEU 391, PHE 40, LEU 73 LEU 100, PHE32 |
