Theoretical Study of Quercetin Derivatives

Year 2019, Volume: 8 Issue: 1, 1 - 5, 15.12.2019

Ramazan Erenler , Faik Gokalp

Abstract

Kuesetin,
birçok bitkiden izole edilen, çok sayıda biyolojik aktivite gösteren önemli bir
doğal üründür. Doğal ürünler, formakolojik etkilerini güçlendirmek için
foksiyonel hale getirilir. Bundan dolayı, en aktif bileşiği ortaya koymak için,
kuersetin türevlendirilerek teorik hesaplamalar yapıldı. Ayrıca, bu çalışma
aktif ve hedef bileşiklerin sentezi için sentetik kimyacılara ilham verecektir.
Kuersetin türevlerinin kimyasal özellikleri teorik olarak araştırıldı.
Bileşiklerin kuantum hesaplamaları, B3lyp/6-31+g(d,p) metoduyla yapıldı.
Bileşik 6 en kararlı bileşik olarak
belirlendi. İnstenilen reaksiyonlar için ve vucudaki dokuya ulaşması bakımından
bu bileşik diğerlerine nazaran daha üstündür. Bileşik 3’ün yüksek polaritesinden dolayı, kanda çözünebilme ve farmasötik
endüstrisinde kullanılabilme potansiyeli vardır.

Keywords

Quercetin, theoretical calculation, flavonoid

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