Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes
Table 3
Compounds from clusters VII, X, and XII, which were found to modulate the top three enriched targets of the therapeutic action classes from the respective clusters. The phytochemical triterpenoids were frequently found in different herbs. The predicted targets were supported by published literature based on at least one of the herbs, suggesting that the other herbs that also contain the same compound could contribute to related therapeutic effects.
(a) Cluster X
Therapeutic action (sub)class
Herb
Compound
Predicted targets (based on the top three enriched targets)
Literature support
Wind-dampness dispelling, bone strengthening (WD-bone)
Acanthopanax gracilistylus
TOPO1 SGLT1
The herb’s extract inhibited cell proliferation of several types of cancer cells [72].
Tonifying and replenishing, qi tonifying (TR-qi)
Glycyrrhiza glabra Glycyrrhiza uralensis
PTPN2
An in vivo study suggested the compound ameliorates all established chronic histopathologic changes of lung in the mouse model of asthma [78].
Cough suppressing and panting-calming, clearing and heat phlegm resolving (CSPC-heat)
Triterpenoids of the herb exhibited nerve growth factor or brain-derived neurotrophic factor activities in vitro, which has the therapeutic potential in neurodegenerative diseases [81].
(b) Cluster VII
Therapeutic action (sub)class
Herb
Compound
Predicted targets (based on the top three enriched targets)
Literature support
Hemostatic, stasis resolving (Hemo-stasis)
Rubia cordifolia
PKC-β PKC-ε
The ethanol extract showed wound healing activities in mice, which from histological evaluations indicated marked infiltration of the inflammatory cells, increased blood vessel formation, and enhanced proliferation of cells [85].
Tonifying and replenishing, blood (TR-blood)
Panax notoginseng
PTPN2 PKC-η
The compound ameliorated liver damage and suppressed proinflammatory cytokines secretion in concanavalin A-induced hepatitis in mice [86].
Heat-clearing, blood cooling (HC-blood cool)
Rehmannia glutinosa
SGLT2
The stachyose extract from the herb showed a significant hypoglycaemic effect in diabetic mice [87].
(c) Cluster XII
Therapeutic action (sub)class
Herb
Compound
Predicted targets (based on the top three enriched targets)
Literature support
Parasite destroying, dampness eliminating, and itchiness relieving (Parasite)
Allium sativum
DHFR
The extract of Allium sativum was found to inhibit the synthesis of proteins, nucleic acids, and lipids in Candida albicans where the major component of the herb was allicin [94].
