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. 2020 Nov 7;592:120028. doi: 10.1016/j.ijpharm.2020.120028

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