Robinia pseudoacacia çiçekleri ve yaprağının fitokimyasal analizi: doğal bileşiklerin kantitatif analizi ve moleküler doking uygulaması

Öz

Fenolik bileşikler bitkilerde yaygın olarak bulunan ve iyi bilinen sekonder metabolitlerdir. Fenolik bileşiklerin tanımlanması, miktarlarının belirlenmesi ve biyolojik aktivitelerinin belirlenmesi, bitkilerin bilinmeyen sırlarını ortaya çıkarmaktadır. Robinia pseudoacacia (RP), beyaz çiçekli sahte akasya olarak bilinir ve Türkiye'de Kuzey Anadolu'da yayılış gösterir. Fenoliklerin varlığını ve miktarını belirlemek için spektrofotometrik ve kromatografik teknikler kullanılır. Bu çalışmada, RP çiçekleri ve yaprağı metanol ile ekstrakte edilmiş ve fitokimyasal içeriğini belirlemek için LC-MS/MS ile analiz edilmiştir. Yaprak ve çiçeklerde salisilik asit ve siringik asit ana ürünler olarak bulunmuştur. RP ekstraktlarının antibakteriyel aktiviteye ve BChE inhibitör özelliklerine sahip olduğu rapor edilmiştir. Bu nedenle, ana bileşenler olan salisilik asit ve siringik asidin BChE ve DD peptidaz enzimini inhibe edici özellikleri, molekül yerleştirme (MolDock) yöntemiyle araştırıldı. MolDock sonuçlarına göre, siringik asit, BChE ve DD peptidaz etkileşimi sonucu MolDock skoru -79.38, -71.25 ve bağlanma enerjileri -5.90, -5.40 kcal/mol olarak sırasıyla hesaplandı. BChE ve DD peptidaz ile etkileşimi sonucu salisilik asitin, MolDock skoru -63.54, -66.18 ve bağlanma enerjileri -6.10,-5.70 kcal/mol olarak sırasıyla hesaplandı. Sonuç olarak salisilik asidin BChE ve DD peptidaz enzimleri ile etkileşimlerinde daha yüksek bağlanma enerjisine sahip olduğu görüldü. Teorik olarak salisilik asit iyi bir BChE ve DD peptidaz inhibitörü olarak kullanılabilir.

Anahtar Kelimeler

• BChE
• DD peptidaz
• Kantitatif analiz
• LC-MS/MS
• Moleküler yerleştirme
• Robinia pseudoacacia

Phytochemical analysis of Robinia pseudoacacia flowers and leaf: quantitative analysis of natural compounds and molecular docking application

Öz

Phenolic compounds are widely found and well-known secondary metabolites in plants. Identification, and quantification of phenolic compounds, and determination of their biological activities reveal the unknown secrets of plants. Robinia pseudoacacia (RP) is known as the white-flowered false acacia and is distributed in Northern Anatolia in Turkey. Spectrophotometric and chromatographic techniques are used to identify the presence and amount of phenolics. In this study, RP flowers and leaves were extracted with methanol and analyzed by LC-MS/MS to determine their phytochemical content. Salicylic acid and syringic acid were found as major products in leaves and flowers. RP extracts have been reported to have antibacterial activity and BChE inhibitory properties. Therefore, the BChE and DD peptidase enzyme inhibitory properties of the main components salicylic acid and syringic acid were investigated by molecule docking (MolDock). According to MolDock results, syringic acid interacted with BChE and DD peptidase and was calculated as a MolDock score of -79.38, and -71.25, with binding energies -5.90, and -5.40 kcal/mol respectively. Salicylic acid interacted with BChE and DD peptidase and was calculated as a MolDock score of -63.54, and -66.18, with binding energies of -6.10, and -5.70 kcal/mol respectively. As a result, salicylic acid had higher binding energy in its interactions with BChE and DD peptidase enzymes. In theory, salicylic acid can be used as a good BChE and DD peptidase inhibitor.

Anahtar Kelimeler

• BChE
• DD peptidase
• LC-MS/MS
• Molecular docking
• Robinia pseudoacacia
• Quantitative analysis

Etik Beyan

etik beyan yoktur

Kaynakça

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