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Journals / Doğu Karadeniz Sağlık Bilimleri Dergisi / 2026 / Cilt: 4 Sayı: 2

Determination of Chemical Composition, Covid-19 Spike ACE2 Binding Inhibition Potential and In Silico Molecular Docking and Adme Properties of Gundelia Cappadocica Plant

GUNDELIA CAPPADOCICA BİTKİSİNİN KİMYASAL KOMPOZİSYONU, COVID-19 SPIKE ACE2 BAĞLANMA İNHİBİSYON POTANSİYELİ İLE IN SILICO MOLECULAR DOCKING VE ADME ÖZELLİKLERİNİN BELİRLENMESİ

Fatih Çağlar Çelikezen(BİTLİS EREN ÜNİVERSİTESİ)0000-0001-5489-7384
Aydın Baştin(BİTLİS EREN ÜNİVERSİTESİ, LİSANSÜSTÜ EĞİTİM ENSTİTÜSÜ)0009-0007-7413-0130
Mehmet Fırat(VAN YÜZÜNCÜ YIL ÜNİVERSİTESİ)0000-0001-5814-614X
Pages
150–163
Publication Date
2025-07-31
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

Conclusion: These results suggest that Gundelia cappadocica can be used in the prevention and treatment of COVID19.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:Aim: The present study was planned to investigate the anti-COVID-19 capacity of the ethanol extract of Gundelia cappadocica Fırat.
📊
Key Findings & Data:Method: For this purpose, the anti-COVID-19 effect was studied using commercial kits.
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Conclusion & Impact:Conclusion: These results suggest that Gundelia cappadocica can be used in the prevention and treatment of COVID19.
🔬Design:Araştırma Makalesi
📍Scope:Comprehensive Sample
⚙️Variables:Gundelia cappadocica · ACE 2 · Asteraceae

Abstract

Aim: The present study was planned to investigate the anti-COVID-19 capacity of the ethanol extract of Gundelia cappadocica Fırat. Method: For this purpose, the anti-COVID-19 effect was studied using commercial kits. In addition, plant content was determined by HPLC-DAD. ADME properties of the identified components were studied with SwissADME web tool, while molecular docking analysis was performed using CB-DOCK2 web tool. Results: COVID-19 inhibition was found to be 9.61% at the highest concentration of 10 µl. Resveratrol, quercetin and chrysin fulfilled all drug-like molecule criteria. In molecular docking simulations, naringin molecule showed the highest binding affinity (∆G=-9.5 kcal/mol). Conclusion: These results suggest that Gundelia cappadocica can be used in the prevention and treatment of COVID19.

Özet

Amaç: Sunulan çalışma, Gundelia cappadocica Fırat’ın etanol ekstresinin anti-COVID-19 kapasitesini araştırmak amacıyla planlandı. Yöntem: Bu amaçla, anti-COVID-19 etkisi ticari kitler kullanılarak çalışıldı. Bunun yanında, bitki içeriği HPLC-DAD ile tespit edildi. Belirlenen komponentlerin ADME özellikleri SwissADME web aracı ile çalışılırken, moleküler docking analizleri CB-DOCK2 web aracı kullanılarak yapıldı. Bulgular: COVID-19 inhibisyonu en yüksek 10 µl konsantrasyonda %9.61 olarak bulundu. Resveratrol, kuersetin ve krisin ilaç benzeri molekül kriterlerinin tamamına uyum gösterdi. Moleküler docking simülasyonlarında ise en yüksek bağlanma afinitesini naringin molekülü gösterdi (∆G=-9.5 kcal/mol). Sonuç: Bu sonuçlar, Gundelia cappadocica’nın COVID19’un önlenmesi ve tedavisinde kullanılabileceğini göstermektedir

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Cite This Article

Çelikezen, F. Ç., Baştin, A., Fırat, M. (2025). Determination of Chemical Composition, Covid-19 Spike ACE2 Binding Inhibition Potential and In Silico Molecular Docking and Adme Properties of Gundelia Cappadocica Plant. Doğu Karadeniz Sağlık Bilimleri Dergisi, Cilt: 4 Sayı: 2, 150–163. https://doi.org/10.59312/ebshealth.1703441

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