Network Pharmacology and Molecular Docking Perspectives into Lignans for Alzheimer's Disease Treatment

Seda Şirin; Serap Niğdelioğlu Dolanbay

doi:10.18016/ksutarimdoga.vi.1490753

TR EN

Alzheimer Hastalığı Tedavisinde Lignanlara Yönelik Ağ Farmakolojisi ve Moleküler Yerleştirme Perspektifleri

Öz

Alzheimer hastalığı (AH), sınırlı tedavi seçeneklerine sahip, zayıflatıcı nörodejeneratif bir durumdur. Çeşitli bitkilerde bulunan doğal olarak oluşan bir polifenol sınıfı olan lignanların, AH patolojisiyle ilişkili yolları modüle etme potansiyeline sahip olduğu gösterilmiştir. Bu çalışmada, hastalığın ilerlemesinde rol oynayan spesifik proteinleri hedefleyerek lignanların AH'ye karşı terapötik potansiyelini araştırmak için ağ farmakolojisi ve moleküler yerleştirme kullanılmıştır. Kurulan etkileşim ağımız EGFR, HSP90AA1, BCL2, HSP90AB1, IL6, JUN, ESR1, PIK3CA, ERBB2 ve PIK3R1 gibi önemli proteinleri içermektedir. Moleküler yerleştirme çalışmaları, lignanların bu proteinlerle nasıl etkileşime girdiğini ortaya çıkarmış ve inflamasyon modülasyonu, apoptoz düzenlemesi ve sinyal iletim yolları gibi mekanizmalar yoluyla AH'yi etkileme potansiyellerini vurgulamıştır. Sonuçlar, lignanların bu hedeflere önemli bağlanma yeteneklerine sahip olduğunu, potansiyel olarak aktivitelerini inhibe ettiğini ve dolayısıyla amiloid-beta birikimini ve tau fosforilasyonunu azaltarak AH semptomlarını hafiflettiğini göstermektedir. Bu bulgular, yeni AH tedavilerinin geliştirilmesi için bir temel olarak lignanların yaşayabilirliğini desteklemekte ve bunların etkinliğini ve güvenliğini doğrulamak için daha fazla in vivo çalışma yapılması çağrısında bulunmaktadır. Bu entegre yaklaşım, AH gibi karmaşık hastalıklara karşı yeni terapötik ajanların araştırılmasında ağ farmakolojisini ve moleküler yerleştirmeyi birleştirmenin değerini vurgulamaktadır.

Anahtar Kelimeler

Network Pharmacology and Molecular Docking Perspectives into Lignans for Alzheimer's Disease Treatment

Abstract

Alzheimer’s Disease (AD) is a debilitating neurodegenerative condition with limited treatment options. Lignans, a class of naturally occurring polyphenols found in various plants, have been shown to have the potential to modulate pathways associated with AD pathology. In this study, we used network pharmacology and molecular docking to investigate the therapeutic potential of lignans against AD by targeting specific proteins involved in disease progression. Our established interaction network includes key proteins such as EGFR, HSP90AA1, BCL2, HSP90AB1, IL6, JUN, ESR1, PIK3CA, ERBB2, and PIK3R1. Molecular docking studies have revealed how lignans interact with these proteins and highlighted their potential to influence AD through mechanisms such as inflammation modulation, apoptosis regulation, and signal transduction pathways. The results suggest that lignans have significant binding abilities to these targets, potentially inhibiting their activity and thus alleviating AD symptoms by reducing amyloid-beta accumulation and tau phosphorylation. These findings support the viability of lignans as a basis for the development of new AD therapies and call for further in vivo studies to confirm their efficacy and safety. This integrated approach underscores the value of combining network pharmacology and molecular docking in the search for new therapeutic agents against complex diseases such as AD.

Keywords

Etik Beyan

An ethics committee permission is not required for the article.

Kaynakça

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URL5 https://www.rcsb.org/structure/1yet
URL6 https://www.rcsb.org/structure/1yes
URL7 https://www.rcsb.org/structure/1BGQ
URL8 https://www.rcsb.org/structure/6qgg
URL9 https://www.rcsb.org/structure/6O0K
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URL11 https://www.rcsb.org/structure/4CNI
URL12 https://www.rcsb.org/structure/5w9c
URL13 https://www.rcsb.org/structure/7R9V
URL14 https://www.rcsb.org/structure/5SX8
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URL17 http://zhanggroup.org/BioLiP2/pdb/single/ 1E7V
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Ayrıntılar

Birincil Dil

İngilizce

Konular

Farmasotik Botanik

Bölüm

Araştırma Makalesi

Yazarlar

Seda Şirin ^*
0000-0003-2636-725X
Türkiye

Serap Niğdelioğlu Dolanbay
0000-0002-1238-0894
Türkiye

Erken Görünüm Tarihi

15 Eylül 2024

Yayımlanma Tarihi

25 Aralık 2024

Gönderilme Tarihi

27 Mayıs 2024

Kabul Tarihi

14 Ağustos 2024

Yayımlandığı Sayı

Yıl 2024 Cilt: 27 Sayı: Ek Sayı 1 (Suppl 1)

DOI

https://doi.org/10.18016/ksutarimdoga.vi.1490753

IZ

https://izlik.org/JA95RK84ZM

Kaynak Göster

RIS / Bibtex

APA

Şirin, S., & Niğdelioğlu Dolanbay, S. (2024). Network Pharmacology and Molecular Docking Perspectives into Lignans for Alzheimer’s Disease Treatment. Kahramanmaraş Sütçü İmam Üniversitesi Tarım ve Doğa Dergisi, 27(Ek Sayı 1 (Suppl 1), 35-58. https://doi.org/10.18016/ksutarimdoga.vi.1490753