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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