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. 2020 Oct 13;2020:6420909. doi: 10.1155/2020/6420909

Table 2.

Docking results performing binding energy of ligands from Ageratum conyzoides interacting with seven proteins playing a role in diverse pathologic condition.

Ligands Binding energies (kcal/mol)
5m8s 3lg0 4cox 1i52 2zq0 4ibu 1l6j
Precocene I −7 −7.2 −7.7 −6.2 −6.4 −4.2 −5.1
Precocene II −6.8 −7 −7.6 −6 −6 −4.3 −5.3
VMDC −7.4 −8 −7.5 −6.3 −6.1 −4.6 −5.3
Beta-sitosterol 1.8 −8.3 −8.9 −6.6 −2.5 −2.7 −6.9
Stigmasterol −2.8 −8.4 −7.4 −6.8 −4 −3 −6.6
5-Methoxynobiletin −4.7 −5.9 −8.5 −7 −3.5 −1.5 −6.2
Lycopsamine −5.6 −4.5 −5.8 −5.1 −6.1 −4.3 −5.1