GİNKGO BİLOBA’NIN TEDAVİ POTANSİYELİNİN ORTAYA ÇIKARILMASI: PARKİNSON HASTALIĞINA YÖNELİK AĞ FARMAKOLOJİSİ YAKLAŞIMI

Öz

Amaç: Mevcut çalışmanın amacı, ağ farmakolojisindeki yaklaşımları kullanarak Parkinson hastalığının patogenezinde yer alan ana terapötik hedeflerin rolünü modüle edebilen Ginkgo biloba'daki ana bitki kaynaklı bileşenleri belirlemektir. Gereç ve Yöntem: Ginkgo biloba'daki bitki kaynaklı bileşenler ile bunların terapötik hedefleri ve Parkinson hastalığının hedefleri, çeşitli çevrimiçi veritabanları ve yazılımlar kullanılarak belirlendi. Tanımlanan bitki kaynaklı bileşenlerin, çeşitli farmakokinetik ve ilaç benzeri özellikleri değerlendirildi Uygun farmakokinetik ve ilaç benzeri özelliklere sahip bitki kaynaklı bileşenler ve daha iyi topolojik parametrelere sahip hedefler, moleküler yerleştirme çalışmasına ve MMGBSA analizine tabi tutuldu. Sonuç ve Tartışma: Bu çalışma ile Ginkgo biloba'da 125 ana bitki kaynaklı bileşenin varlığı saptandı ve 125 bitki kaynaklı bileşenden 30’u uygun farmakokinetik ve ilaç benzeri özellik gösterdi. Seçilen bu bitki kaynaklı bileşenler için 468 terapötik hedef ve Parkinson için 2033 hastalık hedefi bulundu. Fito-hedefler ile hastalık hedefleri arasındaki ortak hedefler 44 hedef olarak bulundu. 44 ortak hedeften, Cytoscape 3.9.1 yazılımındaki derece merkeziliği ve arasındalık merkeziliği gibi topolojik parametrelere dayanılarak 5 üst protein CNR1, HPGDS, AR, RXRA ve HDAC1 tanımlandı. Yerleştirme çalışmaları ve MMGBSA analizi, beta-eudesmol'ün ilk 5 terapötik hedefle daha iyi etkileşime sahip olduğunu ortaya çıkardı.

Anahtar Kelimeler

• Ağ farmakolojisi
• cytoscape
• Ginkgo biloba
• parkinson hastalığı
• schrödinger

Proje Numarası

NA

UNVEILING THE THERAPEUTIC POTENTIAL OF GINKGO BILOBA: A NETWORK PHARMACOLOGY APPROACH FOR PARKINSON’S DISEASE

Öz

Objective: The aim of the current study is to identify the major phytoconstituents in Ginkgo biloba that could modulate the role of major therapeutic targets involved in the pathogenesis of Parkinson’s disease using approaches in network pharmacology. Material and Method: The phytoconstituents in Ginkgo biloba and their therapeutic targets and the targets of Parkinson’s disease were identified using various online databases and software. The identified phytoconstituents were subjected to evaluation of several pharmacokinetic properties and druglikeness study. The phytoconstituents with favourable pharmacokinetic and druglikeness properties and targets with better topological parameters were subjected to molecular docking study and MMGBSA analysis. Result and Discussion: This study identified the presence of 125 major phytoconstituents in Ginkgo biloba and out of 125 phytoconstituents, 30 phytoconstituents passed the pharmacokinetics and druglikeness property. The therapeutic targets for these selected phytoconstituents were found to be 468 and the disease targets in PD were found to be 2033. The common targets between phyto-targets and disease targets were found to be 44 targets. Out of 44 common targets, 5 top proteins CNR1, HPGDS, AR, RXRA and HDAC1 were identified on the basis of the topological parameters such as degree centrality and betweenness centrality in the Cytoscape 3.9.1 software. The docking studies and MMGBSA analysis revealed that beta-eudesmol has better interaction with the top 5 therapeutic targets.

Anahtar Kelimeler

• Ginkgo biloba
• network pharmacology
• parkinson’s disease
• schrödinger
• sitoscape

Destekleyen Kurum

JSS College of Pharmacy

Proje Numarası

NA

Teşekkür

DST-FIST

Kaynakça

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