PTERİDOPİTİK BİYOAKTİF BİLEŞİKLERİN İNHİBİTÖR OLARAK MANTAR DİHİDROFOLAT REDÜKTAZ ENZİMİ İLE ETKİLEŞİMİ

Abstract

Amaç: Nispeten yaygın olan mantar enfeksiyonları esas olarak immün sistemi baskılanmış hastaların ve tedavi gören kişilerin vücudunu istila eder. Bu patojenler, DNA sentezinden sorumlu olan folat sentezinde rol oynayan dihidrofolat redüktaz (DHFR) gibi farklı yolaklar üzerinden etki gösterir. İlk çağlardan beri bitkisel ilaçlara bu mantar enfeksiyonlarını tedavi etmek için kullanılmış ve test edilmiştir. Önceki çalışmalar, antifungal aktiviteyi göstermek için biyoaktif pteridofit moleküllerinin kullanıldığını ortaya koymaktadır. Gereç ve Yöntem: Bu çalışmada, biyoaktif fito bileşenlerinin varlığını gösteren mevcut kütüphaneden farklı pteridofitler seçilmiştir. Biyoaktif moleküllerin mantar suşuna karşı afinitesini belirlemek için Pyrx (Hindistan) programı kullanılarak, DHFR hedefi (PDB ID 6DRS ve PDB ID 3QLW) üzerine in-siliko çalışmalar gerçekleştirilmiştir. Sonuç ve Tartışma: Seçilen hedef proteinlere karşı aktivite gösteren 11 biyoaktif molekül ile molekler yerleştirme çalışması gerçekleştirilmiştir. Buna göre, seçilen biyoaktif moleküllerin mantar suşuna karşı aktif olduğu ve hem in-vivo hem de in vitro çalışmalar için daha fazla araştırılabileceği sonucuna varılmıştır.

Keywords

• Dihidrofolat redüktaz (DHFR)
• mantar enfeksiyonu
• moleküler yerleştirme
• pteridofitler

INTERACTION OF PTERIDOPHYTIC BIOACTIVE COMPOUNDS WITH FUNGAL DIHYDROFOLATE REDUCTASE ENZYME AS INHIBITOR

Abstract

Objective: Fungal infections which are relatively common mainly invades the body of an immunosuppressed patients and people undergoing therapy. These pathogens act through different pathways like the Dihydrofolate reductase (DHFR) has a role in the folate synthetic pathway which is responsible for DNA synthesis. Since the early ages herbal remedies were used and have been tested for treating these fungal infections. Previous studies have revealed the use of bioactive molecules of pteridophytes to demonstrate antifungal activity. Material and Method: In the present study different pteridophytes were selected from available library which showed the presence of bioactive phytoconstituents. In-silico studies on DHFR target (PDB ID: 6DRS and PDB ID: 3QLW) was carried out using PyRx program (India) to determine the affinity of bioactive molecules against the fungal strain. Result and Discussion: Molecular docking was performed with 11 bioactive molecules showing activity against the selected target proteins. So, we can conclude that the selected bioactive molecules are active against fungal strain and can be further investigated for both in-vivo and in-vitro studies.

Keywords

• Dihydrofolate reductase (DHFR)
• fungal infection
• molecular docking
• pteridophytes

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