Synthesis, Characterization, Investigation of AChE Activities and Molecular Docking Studies of New Schiff Bases Based on Substitute Salicyl Aldehyde

Year 2022, Volume: 50 Issue: 2, 185 - 192, 28.02.2022

İrfan Şahin

https://doi.org/10.15671/hjbc.1020606

Cited By: 1

Abstract

In this study, two new Schiff base compounds (4 and 5) based on substituted salicyl aldehyde were synthesized. The structures of the synthesized compounds were determined by FT-IR and 1H(13C) NMR spectroscopies. The AChE inhibition activities of the compounds were investigated. According to the results obtained, the activities of compounds 4 (IC50: 1.396 ± 0.35 M) and 5 (IC50: 0.795 ± 0.47M) were found to be significantly effective than Tacrin (TAC) (IC50: 166.10 ± 17.53 M) (currently used drug). The interaction types and binding energies of compound 5, which has higher activity, were investigated by molecular docking studies.

Keywords

Schiff base, AChE inhibition activity, molecular docking

Thanks

I would like to thank to Prof. Dr. Ferhan TÜMER for valuable help and interpreting the data. I would like to thank to Dr. Özge GÜNGÖR and Seyit Ali GÜNGÖR for biological activity and molecular docking studies.

Subtitüe Salisil Aldehit Temelli Yeni Schiff Bazlarının Sentezi, Karakterizasyonu, AChE Aktivitelerinin İncelenmesi ve Moleküler Yerleştirme Çalışmaları

Abstract

Bu çalışmada, substitute salisil aldehit temelli yeni Schiff bazları (4 ve 5) sentezlendi. Sentezlenen bileşiklerin yapıları FT-IR, 1H(13C) NMR spektroskopileri ile aydınlatıldı. Bileşiklerin AChE inhibisyon aktiviteleri araştırıldı. Elde edilen sonuçlara göre 4 (IC50: 1.396 ± 0.35 M) ve 5 (IC50: 0.795 ± 0.47M) bileşiklerinin aktiviteleri standart olarak kullanılan Tacrinden (TAC) (IC50: 166.10 ± 17.53 M) çok daha yüksek inhibisyon aktivitesi sergilemiştir. Yüksek aktiviteye sahip olan bileşik 5’in moleküler docking çalışmaları ile etkileşim türleri ve bağlanma enerjileri hesaplanmıştır.

Keywords

Schiff bazı, AChE inhibisyon aktivitesi, moleküler yerleştirme

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