Evidence-Based Complementary and Alternative Medicine / 2022 / Article / Tab 3 / Research Article
Action Mechanism Underlying Improvement Effect of Fuzi Lizhong Decoction on Nonalcoholic Fatty Liver Disease: A Study Based on Network Pharmacology and Molecular Docking 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.