UHPLC-ESI-MS/MS-based phytochemical profiling, in vitro anticancer evaluation, and in silico molecular docking of Anacamptis laxiflora and Serapias orientalis flower extracts
Chemical Papers, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Basım Tarihi: 2026
- Doi Numarası: 10.1007/s11696-026-05669-6
- Dergi Adı: Chemical Papers
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Aerospace Database, Chemical Abstracts Core, Materials Science & Engineering Collection (ProQuest), Technology Collection (ProQuest)
- Anahtar Kelimeler: Anacamptis laxiflora, Anticancer activity, Apoptosis, Molecular docking, Serapias orientalis
- Uşak Üniversitesi Adresli: Evet
Özet
This study aimed to characterize the phytochemical profiles of ethanolic flower extracts of Anacamptis laxiflora and Serapias orientalis using UHPLC-ESI–MS/MS and to investigate their potential anticancer effects using cytotoxicity, apoptosis, cell migration, and molecular docking assays/analyses. Cytotoxicity was evaluated using the MTT assay in HEC-1-B and HeLa cells, while morphological changes were assessed in cancer cells and hTERT-HME1 cells. BAX and BCL-2 expression levels were analyzed, cell migration was evaluated using a wound-healing assay, and apoptosis was determined by Annexin V/PI flow cytometry. In addition, molecular docking analyses were performed against two protein targets. The seven compounds commonly detected in both species were fumaric acid, 4–OH–benzoic acid, p-coumaric acid, vanillin, cyaniding–3–O–glucoside, rosmarinic acid, and keracyanin chloride, whereas peonidin–3–O–glucoside was detected only in S. orientalis. Both extracts exhibited strong, concentration-dependent cytotoxicity against cancer cells, with S. orientalis generally showing stronger pro-apoptotic and anti-migratory effects. Both extracts inhibited cell migration and induced apoptosis in cancer cells. Molecular docking analysis showed that keracyanin chloride exhibited the most favorable predicted binding affinities toward BCL-2 (− 8.64 kcal/mol) and caspase−3 (− 7.65 kcal/mol), suggesting potential molecular interactions with apoptosis-related targets. These findings indicate that ethanolic flower extracts of A. laxiflora and S. orientalis exhibit cytotoxic, anti-migratory, and pro-apoptotic potential under the tested in vitro conditions. Species-specific and shared phytochemicals may contribute to these biological effects, while the docking results provide hypothesis-generating evidence for potential molecular interactions.