Table 1. Screening results of 142 natural compounds based on molecular docking from 29 medicinal plants into the PPARα (PDB id: 5HYK) with the binding affinities (kcal.mol-1).

No Medicinal plant Natural compound Binding affinity (kcal.mol-1)
1 Momordica charantia Cucurbitaceae Momordicine 28 -1.8
Gypsogenin -3.7
Goyaglicoside A -6.9
Goyaglicoside C -7.2
Goyaglicoside E -8.2
Goyaglicoside F -7.2
Vicine -6.9
Goyaglicoside H -6.0
2 Stevia rebaudiana Asteraceae Steviol -9.4
3 Ganoderma lucidum Ganodermataceae Ganoderic acid A -1.2
Ganoderic acid B -1.1
Ganoderic acid D -1.5
Ganoderic acid E -3.8
Ganoderic acid F 4.0
Ganoderic acid G -0.3
Ganoderic acid H -5.3
Ganoderic acid I -3.9
Ganoderic acid J -2.7
Ganoderic acid K 5.9
Ganoderic acid L -0.8
Ganoderic acid M -0.2
Ganoderic acid N -5.0
Acid ganodermic S -0.5
Acid ganodermic P2 -0.2
4 Cynara scolymus Asteraceae Cynaropicrin -8.9
Dehydrocynaropicrin -8.3
Grossheimin -7.0
5 Sesamum indicum Pedaliaceae 3-epibartogenic acid -2.3
6 Celastrus hindsii Celastraceae Celasdin A -2.1
Celasdin B -0.9
Celasdin C -6.0
Maytenfolone A -0.6
7 Cynachium stauntonii Apocynaceae Hancolupenone -1.4
Hancolupenol -2.1
8 Folium nelumbinis Nuciferae Nuciferin -5.3
Pronuciferine -4.0
Roemerine -7.4
2-hydroxy-1-methoxyaporphine -6.9
Dehydronuciferine -2.6
N-nornuciferine -3.5
Astragalin -3.8
9 Erythrina orientalis Fabaceae Soyasapogenol B -3.2
10 Codonopsis pilosula Campanulaceae Radicamine A -8.2
Codonopyrrolidiums A -5.9
Codonopyrrolidiums B -7.1
Codonopsinols A -7.9
Codonopsinols B -7.6
Codonopsinols C -7.4
Codonopiloside A -7.5
Tryptophan -7.7
Perlolyrine -9.1
Nicotinic acid -5.5
11 Stemona tuberosa Stemonaceae Isostenine (neostenine) -5.4
Tuberostemonine H -2.3
Tuberostemonine N -2.6
Tuberostemonine K -6.1
Neotuberostemonol -4.2
Epi-Bisdehydroneotuberostemonine J (aka epibisdehydrotuberostemonine J) -8.5
9a-Bisdehydrotuberostemonine -1.0
9a-Bisdehydrotuberostemonine A -7.0
Tridehydrotuberostemonine -2.0
Bisdehydroneostemoninine -9.1
Bisdehydrostemoninine A -8.5
Bisdehydrostemoninine B -8.5
Bisdehydrostemoninine -8.1
Isobisdehydrostemoninine -7.3
Oxystemoninine -3.7
Stemoenonine -5.0
9a-O-Methylstemoenonine -4.3
Oxystemoenonine -4.0
Tuberostemospironine -7.5
10-Hydroxycroomine -7.5
6-Hydroxycroomine (aka 6ahydroxycroomine) -7.6
Dehydrocroomine -5.8
Tuberospironine -7.6
Neotuberostemoninol -6.7
Sessilifoliamide F -2.5
Tuberostemoline -0.7
Tuberocrooline -10.5
1,9a-seco-Stemoenonine -6.2
Tuberostemoenone 0.9
Croomine -8.9
Stemoninoamide -9.8
Stemotinine -6.1
Tuberostemonone 2.9
Neotuberostemonine (aka tuberostemonine LG) -1.0
12 Platycodon grandiflorum Campanulaceae Platycodin A -4.5
Platycodin C -4.8
Platycodin D -3.9
Deapioplatycodin D -4.1
13 Kochia scoparia Chenopodiaceae Momoridin Ic -0.9
14 Aesculus turbinate Aesculaceae Escin Ia -2.5
Escin IIa -2.2
Escin Ib -3.4
Escin IIb -3.9
15 Fructus Momordicae grosvenorii Cucurbitaceae Mogroside IV -1.2
Mogroside V -0.7
16 Schefflera heptaphylla Araliaceae Silphioside F -2.1
Copteroside B -3.7
Gypsogenin 3-O-D-glucuronide -0.5
17 Schefflera octophylla Araliaceae Sessiloside -6.2
Chiisanoside -7.1
18 Gynostemma pentaphyllum Cucurbitaceae Rutin -3.4
Damulin A -7.4
Damulin B -6.7
19 Lysimachia foenum-graecum Primulaceae Foenumoside B -1.3
20 Dioscorea nipponica Makino Dioscoreaceae Trillin -2.9
21 Panax ginseng Araliaceae Ginsenoside Rb1 -5.5
22 Scutellaria baicalensis Lamiaceae Formononetin -10.2
Daidzein -9.7
Chrysin -9.6
Isoscitellarein -9.4
Daidzin -9.1
Apigenin-7-glucoside -8.9
Luteolin-7-rutinoside -7.2
Puerarin -5.9
23 Elsholtzia ciliate Lamiaceae Luteolin -9.9
Apigenin -9.4
Kumatakenin -8.1
Linarin -6.5
24 Musa spp. Musaceae Epicatechin -8.9
Gallocatechin -8.9
Dimer procyanidin -7.7
Semilicoisoflavone -7.7
25 Glycyrrhiza uralensis Fabaceae Chalcone -8.9
Isoliquiritigenin -8.6
Ononin -8.6
Licoflavonol -8.4
Isoangustone -8.2
Licochalcone -7.7
Glyasperin C -7.6
7-O-methylluteone -7.1
Licorisoflavan A -6.9
Dehydroglyasperin -6.3
26 Cynanchum Apocynaceae Quercetin -9.2
27 Thermopsoside alternilora Fabaceae Thermopsoside -8.8
28 Cucumis sativus Cucurbitaceae Saponarin 4-O-glucoside -8.7
Isovitexin -7.2
Isoorientin -6.8
Saponarin 1.5
Vicenin-2 2.5
29 Senna alata Fabaceae Diosmetin -10.1