Molecular networking-based strategy for the discovery of polyacetylated 18-norspirostanol saponins from Trillium tschonoskii maxim.

Sarcaglarols A—D, Lindenane−Monoterpene Heterodimers from Sarcandra glabra Based on Molecular Networks

“…[ 13‐14 ] In recent years, the efficient discoveries of two novel disesquiterpenoid from Ainsliaea macrocephala , [ 15 ] two unusual selaginellin analogues and eight new diarylfluorene derivatives from Selaginella tamariscina , [ 16 ] and nine new polyacetylated 18‐norspirostanol saponins from Trillium tschonoskii were all guided by the molecular networking strategy. [ 17 ] In the light of our interest in lindenane‐type sesquiterpene heteropolymers, especially the type of lindenane− normonoterpene conjugates with a peroxide bridge (sarglaperoxides A and B), which we isolated from S. glabra , [ 6 ] a traditional Chinese medicine (TCM) widely used, and mainly used to treat inflammation and traumatic injuries, [ 18 ] we thus envisaged using molecular networks, combined with our standard compounds, to directionally search our target heterodimers from S. glabra . As a result, sarcaglarols A—D ( 1 — 4 ), two pairs of lindenane−monoterpene heterodimer epimers fused by a 1,2‐dioxane moiety had been rapidly discovered and isolated (Figure 1).…”

A preliminary study of the chemical composition and bioactivity of Bombax ceiba L. flower and its potential mechanism in treating type 2 diabetes mellitus using ultra-performance liquid chromatography quadrupole-time-flight mass spectrometry and network pharmacology analysis

“…The inhibition activities of samples on HepG2, MCF-7, Raw264.7, and A549 cell proliferation were measured using the CCK-8 assay ( 29 ). Briefly, cells were seeded in 96-well plates (5 × 10 3 cells per well) and placed in a cell culture incubator at 37°C.…”

“…The inhibition activities of samples on HepG2, MCF-7, Raw264.7, and A549 cell proliferation were measured using the CCK-8 assay (29). Briefly, cells were seeded in 96-well plates (5 × 10 3 cells per well) and placed in a cell culture incubator at 37 • C. After 24 h of incubation, 10 µL of the suitable concentration of the sample was added and incubated for 24 h, followed by the addition of CCK-8 solution (10 µL), cells were incubated for another 4 h, then the absorbance was measured at 450 nm.…”

Identification and quantification of cucurbitacin in watermelon frost using molecular networking integrated with ultra‐high‐performance liquid chromatography‐tandem mass spectrometry

“…The molecules presenting similar fragmentation patterns were grouped in the same cluster while the molecules with different MS/MS spectra were not associated. As a seed, standard compounds were injected to generate MS/MS spectra for the identification of compounds and furtherly determined the molecular family of the associated compounds, which facilitated the identification of unknown compounds [26].…”