Screening of Chenopodium hybridum L. for Anti-ovarian Cancer Compounds Using UPLC-Q-Exactive MS and Partial Least Squares Analysis

Extracts of Chenopodium hybridum L. leaves and stems exerted a significant antiproliferative effect on human A2780 ovarian cancer cells, but C. hybridum active components have not been reported. Here, a method is described for screening of C. hybridum extracts for potential bioactive components that inhibit A2780 cell proliferation. First, the spectrum–effect relationship between UPLC-Q-Exactive MS chromatograms and C. hybridum extract antiproliferative effect against A2780 cells was established to evaluate extract bioactive components using partial least squares (PLS) analysis. The results indicated that the optimal reflux extraction process for preparing C. hybridum extracts with antiproliferative activity involved a suspension of C. hybridum material in 8 volumes of 70% ethanol followed by heating and refluxing twice for 60 min/reflux step and then repeating the extraction and pooling of both the extracts. Chromatographic results revealed five compounds with potential anti-ovarian cancer activities based on inhibition of A2780 cell proliferation: isorhamnetin-3-O-β-D-furanosyl(1↓2)-O-[α-L-rhamnpyranosyl(1↓6)]-β-D-glucopyranoside, kaempferol-3-O-β-D-glucopyranoside-7-O-α-L-pyranoside, kaempferol-3-O-[α-L-rhamnopyranosyl(1″↓2″)]-β-D-galactopyranoside, quercetin-3,7-di-rhamnose, and isorhamnetin-3-acacia disaccharide. Network pharmacological screening revealed nine core cellular targets that potentially interacted with these compounds. These results were verified through molecular docking studies that supported the involvement of these compounds in observed C. hybridum A2780 cell antiproliferative effects, thus indicating C. hybridum active components may have value in ovarian cancer treatments.