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. 2020 Nov 24;8:583926. doi: 10.3389/fchem.2020.583926

Table 2.

Binding free energy, ΔG (kcal/mol).

Antibacterial Antimalarial
S/N Compound code 5MMN: ΔG (kcal/mol) Scoring function: London dG 1SME: ΔG (kcal/mol) Scoring function: London dG
1 8a −6.57 −7.73
2 8b −6.45 −7.69
3 8c −6.71 −7.80
4 8d −7.10 −7.01
5 8e −6.05 −8.71
6 8f −5.74 −7.75
7 8g −6.31 −7.44
8 8h −6.04 −7.45
9 8i −6.70 −8.27
10 8j −6.66 −7.06
11 Standard drugs −5.38 −6.11