Evidence-Based Complementary and Alternative Medicine

Research Article

Antidepressant Mechanism of Kaixinsan and Its Active Compounds Based on Upregulation of Antioxidant Thioredoxin

Table 2

Molecular docking of KXS in the treatment of depression (the first 21 groups) (the molecular docking free energy is negative, which theoretically indicates that the drug compounds can bind to the target in the natural state, and the greater the absolute value of the negative value indicates the stronger the binding ability).
CompoundHerbTargetFree energy
KaempferolGinseng Radix, Acori Tatarinowii RhizomaAKT1−9
Ginsenoside rh2Ginseng RadixAKT1−8.2
1,7-Dihydroxy-3-methoxy xanthonePolygalae RadixGSK3B−7.5
8-Isopentenyl-kaempferolAcori Tatarinowii RhizomaESR1−7.4
Trametenolic acidPoriaNR3C2−7.1
StigmasterolGinseng RadixNR3C2−6.9
KaempferolGinseng Radix, Acori Tatarinowii RhizomaNrf2−6.9
KaempferolGinseng Radix, Acori Tatarinowii RhizomaKEAP1−6.8
CerevisterolPoriaNR3C2−6.7
Beta-sitosterolGinseng RadixBAX−6.6
KaempferolGinseng Radix, Acori Tatarinowii RhizomaBAX−6.6
KaempferolGinseng Radix, Acori Tatarinowii RhizomaNOS3−6.5
CycloartenolAcori Tatarinowii RhizomaNR3C2−6.2
α-SpinasterolPolygalae RadixNR3C2−6.2
1,7-Dihydroxy-3-methoxy xanthonePolygalae RadixNOS2−6
1,6-Dihydroxy-3,7-dimethoxyxanthonePolygalae RadixNOS2−6
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acidPoriaNR3C2−5.8
DeoxyharringtonineGinseng RadixNR3C2−5.8
Ginsenoside rh4Ginseng RadixNR3C2−5.7
Ginsenoside rh2Ginseng RadixNrf2−5.6
Ginsenoside rh2Ginseng RadixKEAP1−5.3