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Table 2 Binding affinities (kcal/mol) of the phytocompounds towards SARS-CoV-2 Mpro and 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 SARS-CoV-2 Mpro Furin
1 C_1  − 7.3  − 8.2
2 C_2  − 6  − 6.5
3 C_3  − 6.6  − 7.6
4 C_4  − 7.2  − 8
5 C_5  − 7.3  − 8
6 C_6  − 6  − 6.6
7 C_7  − 5.4  − 5.5
8 C_8  − 5  − 5.6
9 C_9  − 6  − 6.3
10 C_10  − 6.4  − 7.1
11 C_11  − 3.6  − 4.2
12 C_12  − 3.9  − 4.3
13 C_13  − 3.9  − 3.8
14 C_14  − 6.6  − 8.1
15 C_15  − 4.9  − 5.1
16 C_16  − 4.6  − 4.8
17 C_17  − 6.5  − 7.8
18 C_18  − 7.6  − 2
19 C_19  − 7  − 7.9
20 C_20  − 6.9  − 7.5
21 C_21  − 7.2  − 7.9
22 C_22  − 6.7  − 7.6
23 C_23  − 7.3  − 8.1
24 C_24  − 7.3  − 7.9
25 C_25  − 7.7  − 7.7
26 C_26  − 8  − 8.2
27 C_27  − 1.7  − 2.3
28 C_28  − 7  − 8.3
29 C_29  − 6.7  − 9
30 3WL  − 6.7 -
31 Carmofur  − 5.6 -
32 Para-guanidinomethyl-Phac-R-Tle-R-Amba  − 7
33 Naphthofluorescein  − 10