Medicinal Effect, In Silico Bioactivity Prediction, and Pharmaceutical Formulation of Ageratum conyzoides L.: A Review

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