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Journals / Turkish Computational and Theoretical Chemistry / 2025 / Volume: 9 Issue: 5 Special Issue

Phytochemical characterization and in vitro bioactivities of Hypericum perforatum L. extracts: Insights from molecular docking

Gülşen Güçlü(CUMHURİYET ÜNİVERSİTESİ> SAĞLIK HİZMETLERİ MESLEK YÜKSEKOKULU)0000-0002-3599-213X
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Publication Date
2025-12-26
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AI Summary & Key Takeaways

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⚡ TL;DR(Too Long; Didn't Read)

GC-MS results showed water extract had the most diverse components, while ethanol extract, rich in “n-Docosane” (43.74%), had the highest compound proportion. “Cyclododecane” was dominant in methanol and water extracts.

📌 3 Key Takeaways

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Objective & Hypothesis:Hypericum perforatum L. (St.
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Key Findings & Data:GC-MS results showed water extract had the most diverse components, while ethanol extract, rich in “n-Docosane” (43.74%), had the highest compound proportion. “Cyclododecane” was dominant in methanol and water extracts.
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Conclusion & Impact:These findings underscore the pharmaceutical potential of the most active plant extract components and provide a valuable reference for future efforts to develop novel therapeutic agents from H. perforatum L.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Hypericum perforatum L · Antioxidant · Enzyme inhibition activity

Abstract

Hypericum perforatum L. (St. John’s Wort) is a widely used medicinal plant with antioxidant, antimicrobial, anti-inflammatory, and antidepressant properties. In this study, water, ethanol, and methanol extracts were evaluated for chemical composition, antioxidant activity, enzyme inhibition, cytotoxicity, and in silico bioactivity. GC-MS results showed water extract had the most diverse components, while ethanol extract, rich in “n-Docosane” (43.74%), had the highest compound proportion. “Cyclododecane” was dominant in methanol and water extracts. Ethanol extract had the strongest antioxidant activity due to high phenolic/flavonoid content. Methanol extract showed the highest AChE inhibition and significant cytotoxicity on MDA-MB-231 cells. Water extract was most effective against BChE and tyrosinase. All extracts showed low α-amylase and α-glucosidase inhibition, but stronger tyrosinase inhibition. Molecular docking studies corroborated the experimental results, indicating robust interactions between extract constituents and target proteins involved in antioxidant and anticancer mechanisms. These findings underscore the pharmaceutical potential of the most active plant extract components and provide a valuable reference for future efforts to develop novel therapeutic agents from H. perforatum L.

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Cite This Article

Güçlü, G. (2025). Phytochemical characterization and in vitro bioactivities of Hypericum perforatum L. extracts: Insights from molecular docking. Turkish Computational and Theoretical Chemistry, Volume: 9 Issue: 5 Special Issue. https://doi.org/10.33435/tcandtc.1820388

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