ÖZ
Amaç
Literatürde, bitki bazlı besin kaynaklarının temel fitosterol bileşenlerinden biri olan β-sitosterolün (BS), antidiyabetik, antimikrobiyal, enzim inhibitörü, antienflamatuvar, antioksidan, tripanosidal, antikanser ve antinosiseptif etkilere sahip olduğu bildirilmiştir. Bu nedenle, mevcut çalışmamızda BS, Nepeta cinsinden (N. trachonitica, N. aristata, N. italica, N. baytopii ve N. stenantha) kolon kromatografisi (silika jel) kullanılarak izole edilmesi ve BS’nin kromatografik yöntemler (NMR ve MS) kullanılarak aydınlatılması amaçlanmıştır.
Yöntemler
Beş farklı Nepeta türünden ana bileşen olarak izole edilen BS’nin metabolik enzimleri (karbonik anhidraz, tirozinaz, α-amilaz, üreaz, α-glukozidaz, lipaz) üzerinde detaylı çalışmalar (in vitro ve in silico) yürütülmüş, standart ilaçlarla istatistiksel olarak karşılaştırılmıştır.
Bulgular
BS standart ilaçlarla karşılaştırıldığında üreazı (IC50, 21,60±0,01 μM) ve tirozinazı (IC50, 6,60±0,02 μM) inhibe etmede güçlü inhibitör etkilere sahip olduğu gözlenmiştir. Kinetik çalışmalarda, BS’nin 25,67 µM’lik bir inhibitör sabiti ile α-glukozidaz üzerinde etkili bir inhibitör kapasitesine sahip olduğu bulunmuştur. BS’nin moleküler yerleştirmede tirozinaz ile yüksek bağlanma afinitesine sahip olduğu bulunmuştur. Ayrıca, daha önceki çalışmalarda moleküler dinamik simülasyonu yapılmayan tirozinaz ve BS kompleksi, RMSD grafiğinde 4 nm’de kararlılığa ulaşmış ve bağlanma enerjisi MM/PBSA analizinde -4,39 kcal/mol olarak kaydedilmiştir.
Sonuç
In silico sonuçlar, Nepeta türlerinin ve BS’nin dermatolojik enzim (tirozinaz) üzerinde etkili olduğunu ve yeni bir dermatolojik ürün adayı olabileceğini desteklemektedir.
Anahtar Kelimeler:
Nepeta türleri, β-sitosterol, in vitro aktiviteler, in silico çalışmalar
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