Assessing the bioactive potential of Lysimachia atropurpurea extracts using HPLC-MS/MS, in vitro and in silico analysis
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Gunes Ak
,
Eliana Fernandes
und
Gokhan Zengin
Abstract
The genus Lysimachia is of great interest to the scientific community, especially in terms of its potential anticancer effects. In this study, the aerial parts and roots of Lysimachia atropurpurea L. were collected and extracted by maceration using solvents of ethyl acetate (EA), ethanol (EtOH), ethanol/water, and water. The biological activities of the extracts, including antioxidant, enzyme inhibition, and anticancer effects, were evaluated using various assays. High-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) analysis revealed a total of 32 compounds in the extracts of L. atropurpurea. The roots showed significantly the highest antioxidant activity compared to the aerial part. In case of cholinesterase inhibition, the aerial parts of the EtOH extract showed the highest acetylcholinesterase (AChE) inhibition activity, measuring 3.05 mg galatamine equivalent (GALAE)/g. The EtOH and EtOH/water extracts exhibited the strongest cytotoxicity, reducing the viability of human neuroblastoma (SH-SY5Y) and human hepatocarcinoma (HepG2) cancer cells to as low as 4.86–6.33 %. The results of network pharmacology and molecular docking suggest that the extract of L. atropurpurea exerts inhibitory effects on hepatocellular carcinoma through the modulation of SRC, PI3K, and HSP90, while it demonstrates potential inhibitory activity against neuroblastoma by targeting SRC, PI3K, HSP90, ESR1, AKT, and other related targets. In conclusion, the L. atropurpurea extracts showed potential antioxidant, enzyme inhibition, and selective anticancer effects, which support their potential for further research as therapeutic agents in drug development.
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Research ethics: Not applicable.
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Informed consent: Not applicable.
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Author contributions: Conceptualization, GA, NN, ES, AIB, GZ; methodology, GA, NN, ES, MJR, EF, LC, IY, IG, GZ; software, YW, ML, GZ; validation, EY, OAM, OAE, ANS; formal analysis, GZ; investigation, GA, EY, OAM, OAE, ANS; resources, EY; data curation, ES, YW, ML, GZ writing – original draft preparation, GA, NN, AIB, ML, GZ; writing – review and editing, LC, IY, IG, ML; visualization, AIB.; supervision, GZ; project administration, GZ.; funding acquisition, GZ. All authors have read and agreed to the published version of the manuscript.”
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Use of Large Language Models, AI and Machine Learning Tools: None declared.
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Conflict of interest: The authors declare no competing interests.
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Research funding: This research received no external funding.
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Data availability: Data will be made available on request.
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