Table 3.

The binding energy values of core compounds of FLD and core targets.

Molecule name	Target	PDB ID	Binding affinity (KJ·mol−1)
14-Acetyl-12-senecioyl-2E,8Z,10E-atractylentriol	ALB	1BJ5	−6.9
	MAPK1	6SLG	−5.3
	CASP3	2J32	−5.0
Arachidonate	ALB	1BJ5	−7.3
	MAPK1	6SLG	−5.0
	CASP3	2J32	−3.5
Jesaconitine	ALB	1BJ5	−7.0
	MAPK1	6SLG	−6.5
	CASP3	2J32	−5.3
Diop	ALB	1BJ5	−7.5
	MAPK1	6SLG	−6.0
	CASP3	2J32	−4.3
3′-Methoxyglabridin	ALB	1BJ5	−9.5
	MAPK1	6SLG	−7.5
	CASP3	2J32	−7.4
(E)-3-[3,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one	ALB	1BJ5	−7.9
	MAPK1	6SLG	−7.1
	CASP3	2J32	−6.4
Chrysanthemaxanthin	ALB	1BJ5	−6.1
	MAPK1	6SLG	−9.1
	CASP3	2J32	−8.2
11,14-Eicosadienoic acid	ALB	1BJ5	−6.3
	MAPK1	6SLG	−4.4
	CASP3	2J32	−4.4
Malkangunin	ALB	1BJ5	−6.8
	MAPK1	6SLG	−6.5
	CASP3	2J32	−7.1
Gancaonin H	ALB	1BJ5	−9.2
	MAPK1	6SLG	−7.6
	CASP3	2J32	−7.6

ALB: albumin; MAPK1: mitogen-activated protein kinase 1; CASP3: caspase-3.