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Table 6 Binding parameters of the phytocompounds and the standard references with the amino acid residues at the active binding site of furin

From: Computational guided identification of potential leads from Acacia pennata (L.) Willd. as inhibitors for cellular entry and viral replication of SARS-CoV-2

Sl. No

Compound ID

Conventional hydrogen bonding

Hydrophobic interaction

Carbon-hydrogen interaction

Electrostatic interaction

1

C_18

ASP191, SER368, THR365, ARG193, FMT601, ASN295

2

C_4

ARG197, THR365, FMT601

 

HIS194

ARG298

3

C_5

HIS364, THR365, ASN295

FMT601

ARG298

4

PGPRTRA

ASN295, FMT601, SER368, HIS194, LEU227, GLY229

ASP258, GLU299

5

Naphthofluorescein

HIS194, SER368

LEU227