Table 2.
Binding affinity values obtained from the molecular docking of RBD of SARS-CoV-2 spike protein and HSPG ligand complexes using Autodock Software.
| S. No | Ligands | Binding affinity (kcal/mol) |
|---|---|---|
| 1 | Heparin sulfate proteoglycans (HSPG) | −7.7 |
| 2 | CMBS (Carboxymethyl benzyl amide sulfonate) | −7.3 |
| 3 | Polyanetholesulfonic acid (PAS) | −7.1 |
| 4 | 6-((3,4-dihydroxy phenethyl) amino)-6-oxohexane-1-sulfonate (DOS) | −6.6 |
| 5 | 2-acrylamide 2-methyl propane sulfonic acid (PSA) | −6.4 |
| 6 | N-Sulfo-Glucosamine (SGA) | −5.7 |
| 7 | Vinyl sulfonic acid (PVS) | −5.5 |
| 8 | 11-Mercapto-1-undecanesulfonate (MUS) | −5.5 |
| 9 | Hexamethylene diisocyanate (HIC) | −5.3 |
| 10 | 4-styrene sulfonic acid (PSS) | −5.1 |
| 11 | 12-Mercapto-undecyl phosphoric acid (MUP) | −5.1 |
| 12 | Oligo(ethylene glycol) (EG2-oh) | −4.8 |
| 13 | 2-Mercaptoethanesulfonate (MES) | −4.4 |