Unveiling the absorbed bioactive constituents of Cuscuta seeds: A systematic strategy integrating automated MS annotation, in vivo chemometric screening and bioactivity evaluation
Xi-yang Tang, Ming-jia Ma, Meng-le Du, Lv-qi Xie, Jia-jia Chen, Ze-xi Tan, Zhi-jian Su, Zi-qin Dai, Lei Huang, Yi Dai
TL;DR
This study developed a new method to identify bioactive compounds in Cuscuta seeds that are absorbed in the body and help reduce oxidative stress.
Contribution
A novel MATLAB-based platform was developed for automated MS annotation and in vivo screening of Cuscuta seed constituents.
Findings
203 compounds were identified in Cuscuta seed extract using a MATLAB platform.
Nine major absorbed constituents were revealed, including cuscutamine and p-coumaric acid.
Hyperoside, ferulic acid, and others showed significant bioactivity in reducing oxidative damage.
Abstract
The strategy integrated MATLAB automated MS annotation, in vivo chemometric screening, and progesterone assessment under oxidative stress was established for the identification of absorbed bioactive constituents of Cuscuta seed (CS). MATLAB platform characterized 203 components (flavonols, alkaloids, phenolic acids, etc) in CS extract, outperforming commercial software through its combinatorial “parent molecules + group fragments” database and automated neutral loss/diagnostic ion matching. This approach was designed to effectively minimize in-source fragmentation false positives, while its dual-dimension similarity algorithm refined molecular networking. Furthermore, 20 prototypes and 46 metabolites were discovered and identified in plasma and urine after oral administration of CS by OPLS-DA and MATLAB analysis platform. Cuscutamine and p-coumaric acid exhibited high systemic exposure.…
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Taxonomy
TopicsBerberine and alkaloids research · Ethnobotanical and Medicinal Plants Studies · Chemical synthesis and alkaloids