Table 3.
ICM score, no. of H-bonds and amino acid residues involved in the interaction between components of Egyptian propolis, Remdesivir, Avigan and hydroxychloroquine and active site of S1 spike protein of COVID-19:
Amino acid residues involved | No. of H-Bonds | ICM Score with Spike Protein | Comp. |
---|---|---|---|
ARG509, ASN343, ALA344 | 3 | −165.9 | Remdesivir |
ARG509 | 3 | −46.3 | Avigan |
TRP436, THR345 | 2 | −79.8 | Hydroxychloroquine |
GLU484 | 1 | −94.3 | Rutin |
ASN437, ALA372 | 2 | −77.8 | Caffeic acid phenethyl ester |
TRP436, PHE342 | 3 | −77.4 | Pinobanksin |
GLN474 | 2 | −67.8 | Quercetin |
ASN343 | 1 | −66.2 | Chrysin |
TRP436 | 2 | −62.3 | Kaempferol |
GLY482 | 1 | −60.5 | Pinocembrin |
GLY482 | 1 | −59.5 | Galangin |
ARG509, SER373 | 3 | −56.5 | p-cumaric acid |
TRP436 | 1 | −40.4 | Benzoic acid |