Prangos aricakensis'ten izole edilen yeni olası antibakteriyel molekül, Daukosterol: Antibakteriyel aktivite ve DD-peptidaz ve giraz üzerinden moleküler yerleştirme yaklaşımları

Serbay Şafak Gökçimen; Yaşar İpek; Tevfik Ozen; İbrahim Demirtas; Lütfi Behçet

doi:10.18016/ksutarimdoga.vi.1683529

EN TR

A new possible antibacterial compound isolated from Prangos aricakensis, Daucosterol: Antibacterial activity and molecular docking approaches via DD-peptidase and gyrase

Abstract

Prangos species have been used for years to treat various ailments due to their chemical components. Eastern Türkiye is home to the locally endemic species Prangos aricakensis. This work is the first to isolate the daucosterol molecule from P. aricakensis stems. Daucosterol's structure was ascertained by 1D and 2D NMR analysis. Daucosterol has been studied to have many effects in many areas, such as antibacterial, immune system strengthening, and anti-cancer. Studies have been conducted on the molecule's antibacterial activity in vitro and its predicted molecular docking with antibiotic target proteins in silico. Compared to standard antibiotics, daucosterol had better effects against Bacillus cereus (512 μg/mL) and Listeria monocytogenes (1024 μg/mL). Additionally, daucosterol (512 μg/mL) and amoxicillin (512 μg/mL) demonstrated comparable efficacy against Enterococcus faecalis and Klebsiella pneumoniae. To predict the antibacterial effect of daucosterol in a computer environment, molecular docking interactions of daucosterol with DD-peptidase and gyrase (antibiotic target proteins) were studied and compared with tetracycline as a control antibiotic. Daucosterol and DD-peptidase showed perfect binding affinity, as -9.00, and daucosterol and gyrase had -8.90 kcal/mol. Results showed that the daucosterol molecule interacted with antibiotic target proteins and can be used as an in vitro antibacterial agent.

Keywords

Prangos aricakensis'ten izole edilen yeni olası antibakteriyel molekül, Daukosterol: Antibakteriyel aktivite ve DD-peptidaz ve giraz üzerinden moleküler yerleştirme yaklaşımları

Öz

Prangos türleri kimyasal bileşenlerinden dolayı yıllardır çeşitli rahatsızlıkların tedavisinde kullanılmıştır. Türkiye’nin doğusu, yerel olarak endemik tür olan Prangos aricakensis'e ev sahipliği yapmaktadır. Bu çalışma, daukosterol molekülünün P. aricakensis gövde kısmından izole edildiği ilk çalışmadır. Daukosterol'ün yapısı 1D ve 2D NMR analiziyle belirlenmiştir. Daukosterol’ün antibakteriyel, immün sistemi güçlendirici ve anti-kanser gibi birçok alanda etkisinin araştırıldığı bilinmektedir. Molekülün in vitro antibakteriyel aktivitesi ve in silico antibiyotik hedef proteinlerle öngörülen moleküler yerleşimi üzerine çalışmalar yürütülmüştür. Standart antibiyotiklerle karşılaştırıldığında, daukosterol Bacillus cereus'a (512 μg/mL) ve Listeria monocytogenes'e (1024 μg/mL) karşı iyi etkilere sahip çıkmıştır. Ayrıca, daukosterol (512 μg/mL) ve amoksisilin (512 μg/mL), Enterococcus faecalis ve Klebsiella pneumoniae'ye karşı karşılaştırılabilir etkinlik göstermiştir. Bilgisayar ortamında Daukosterol’ün antibakteriyel etkisini tahmin etmek için daukosterol’ün DD-peptidaz ve giraz (antibiyotik hedef proteinleri) ile moleküler yerleştirme etkileşimleri incelendi ve kontrol antibiyotik olarak tetrasiklinin bu hedef proteinlerle olan etkileşimleri ile karşılaştırıldı. Daukosterol ve DD-peptidaz -9.00 kcal/mol ile çok iyi bağlanma afinitesi gösterirken daukosterol ve giraz ise -8.90 kcal/mol ile iyi bir etkileşime sahip görünmektedir. Sonuçlar daukosterol molekülünün antibiyotik hedef proteinlerle etkileyici etkileşimlere sahip olduğunu ve in vitro antibakteriyel reaktif olarak kullanılabileceğini gösterdi.

Anahtar Kelimeler

Destekleyen Kurum

TÜBİTAK

Proje Numarası

221Z330

Etik Beyan

Gerek yoktur.

Teşekkür

Türkiye Bilimsel ve Teknolojik Araştırma Kurumunun çalışmalarımıza desteğine teşekkürler

Kaynakça

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Ayrıntılar

Birincil Dil

Türkçe

Konular

Farmasotik Botanik

Bölüm

Araştırma Makalesi

Yazarlar

Serbay Şafak Gökçimen
0000-0002-3147-7042
Türkiye

Yaşar İpek
0000-0002-1041-267X
Türkiye

Tevfik Ozen ^*
0000-0003-0133-5630
Türkiye

İbrahim Demirtas
0000-0001-8946-647X
Türkiye

Lütfi Behçet
0000-0001-8334-7816
Türkiye

Erken Görünüm Tarihi

18 Ekim 2025

Yayımlanma Tarihi

1 Ocak 2026

Gönderilme Tarihi

26 Nisan 2025

Kabul Tarihi

22 Ağustos 2025

Yayımlandığı Sayı

Yıl 2026 Cilt: 29 Sayı: 1

DOI

https://doi.org/10.18016/ksutarimdoga.vi.1683529

IZ

https://izlik.org/JA39ZH95XC

Kaynak Göster

RIS / Bibtex

APA

Gökçimen, S. Ş., İpek, Y., Ozen, T., Demirtas, İ., & Behçet, L. (2026). Prangos aricakensis’ten izole edilen yeni olası antibakteriyel molekül, Daukosterol: Antibakteriyel aktivite ve DD-peptidaz ve giraz üzerinden moleküler yerleştirme yaklaşımları. Kahramanmaraş Sütçü İmam Üniversitesi Tarım ve Doğa Dergisi, 29(1), 40-50. https://doi.org/10.18016/ksutarimdoga.vi.1683529

A new possible antibacterial compound isolated from Prangos aricakensis, Daucosterol: Antibacterial activity and molecular docking approaches via DD-peptidase and gyrase

Abstract

Keywords

Prangos aricakensis'ten izole edilen yeni olası antibakteriyel molekül, Daukosterol: Antibakteriyel aktivite ve DD-peptidaz ve giraz üzerinden moleküler yerleştirme yaklaşımları

Öz

Anahtar Kelimeler

Destekleyen Kurum

Proje Numarası

Etik Beyan

Teşekkür

Kaynakça

Ayrıntılar

Birincil Dil

Konular

Bölüm

Yazarlar

Erken Görünüm Tarihi

Yayımlanma Tarihi

Gönderilme Tarihi

Kabul Tarihi

Yayımlandığı Sayı

DOI

IZ

Kaynak Göster

e-ISSN: 2619-9149