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. 2024 Nov 26;14:29378. doi: 10.1038/s41598-024-80753-z

Table 4.

Binding Affinity of ligands with selected Coxsackievirus vital protein receptors.

No Ligands Binding Affinity (kcal mol−1)
Coxsackievirus adenovirus receptor 3C-protease from coxsackievirus B4 3Dpol RNA dependent RNA polymerase
(PDB: ID 2J12) (PDB: ID 8Y2U) (PDB: ID 3DDK)
1 11a −5.80 −8.10 −8.50
2 11b −6.50 −9.50 −9.50
3 11c −6.30 −9.40 −9.40
4 13 −5.70 −5.60 −8.10
5 3 −4.75 −6.50 −7.30
6 7a −6.80 −9.70 −10.90
7 7b −5.60 −8.50 −9.30
8 7c −6.80 −9.30 −9.80
9 7d −4.50 −8.85 −9.00
10 9a −4.80 −7.10 −8.60
11 9b −4.50 −7.15 −8.50
12 Pleconaril −5.70 −6.10 −7.80