Moleküler Yerleştirme Yöntemi ile Kanabidiolün Reseptör-Ligant Etkileşiminin İncelenmesi

Yıl 2023, Cilt: 13 Sayı: 2, 398 - 414, 15.06.2023

Emre Fatih Ediz , Meltem Demirel Kars

https://doi.org/10.31466/kfbd.1214649

Öz

Kanabidiol, CB1 ve CB2 reseptörlerine düşük bağlanma eğilimine (afiniteye) sahip ve psikoaktif özellikleri olmayan bir kanabinoiddir. Ayrıca G proteinine bağlı reseptörler, serotonin reseptörleri ve opioid reseptörleri ile de aktivite göstermektedir. Bu nedenle kanabidiol uzun zamandır anksiyete, depresyon, refrakter epilepsi gibi nöronal hastalıkların, Parkinson, Alzheimer hastalığı, amyotrofik lateral skleroz gibi sinir sistemi hastalıklarının, enflamatuvar bozukluklar gibi bağışıklık sistemi hastalıklarının tedavisinde kullanılmaktadır. Ayrıca opioid reseptörleri ile güçlü aktivitesi sayesinde yoksunluk sendromu tedavisinde de kullanılmaktadır. Bu çalışmada iki klasik kanabinoid reseptörü olan CB1 ve CB2, bunlara ilaveten literatür taramaları sonucunda, İnsan Delta-Opioid Reseptörü (δ-OP), Nosiseptin/Orfanin FQ receptor (G protein-coupled receptor 55 - GPR55), Vanilloid Reseptörü (Transient receptor potential vanilloid receptor1 -TRPV1) ve Serotonin 1A reseptörü (5-HT1A) tercih edilmiştir. Yapılan moleküler yerleştirme çalışmaları sonucunda CBD'nin CB1, CB2, δ-OP, GPR55, TRPV1 ve 5-HT1A reseptörleri için önemli afiniteye sahip bir molekül olduğu gösterilmiştir.

Anahtar Kelimeler

Kanabidiol, ligant, reseptör, moleküler yerleştirme

Destekleyen Kurum

Tübitak

Proje Numarası

119C100

Teşekkür

Bu çalışma TÜBİTAK 2244 Üniversite Sanayi İşbirliği Projesi (119C100) tarafından desteklenmektedir.

Investigation of Receptor-Ligand Interaction of Cannabidiol by Molecular Docking Method

Öz

Cannabidiol is a cannabinoid that has low affinity for CB1 and CB2 receptors and does not have psychoactive properties. It also exhibits activity with G protein-coupled receptors, serotonin receptors and opioid receptors. Therefore, cannabidiol has been used for a long time in the treatment of neuronal diseases such as anxiety, depression, refractory epilepsy, nervous system diseases such as Parkinson's disease, Alzheimer's disease, amyotrophic lateral sclerosis, and immune system diseases such as inflammatory disorders. In this study, two classical cannabinoid receptors, CB1 and CB2, and Human Delta-Opioid Receptor (δ-OP), Nociceptin/Orphanin FQ receptor (G protein-coupled receptor 55 - GPR55), Vanilloid Receptor (Transient receptor potential vanilloid receptor1 -TRPV1)) and Serotonin 1A receptor (5-HT1A) were selected in addition to the so called receptors, as a result of literature review. As a result of molecular docking studies, it has been revealed that CBD is a molecule with significant affinity for CB1, CB2, δ-OP, GPR55, TRPV1 and 5-HT1A receptors.

Anahtar Kelimeler

Cannabidiol, ligand, receptor, molecular docking

Proje Numarası

119C100

Kaynakça

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