Theoretical and Experimental Investigation of the Effects of Some Molecules Containing Piperidine Ring on Glutathione S-Transferase and Cholinesterase Enzymes

Year 2024, Volume: 14 Issue: 2, 812 - 821, 01.06.2024

Fikret Türkan , Kübra Akil

https://doi.org/10.21597/jist.1470721

Abstract

In this study, the inhibition effects of aniline molecules of 1-(2-Furylmethyl) piperidine-3-carboxylic acid hydrochloride (molecule 1), and 3-Chloro-4-(3,5-dimethyl-1-piperidinyl) aniline (molecule 2), which contain piperidine ring, on the enzymes of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) and glutathione s-transferase (GST) were investigated. The studies of IC50 and Ki were performed for the inhibitors. All the molecules were found to be good inhibitors for the three enzymes. Molecule 2 was detected to be an effective inhibitory with Ki values of 2.9987±0.2555 for the AChE enzyme and 1.9301±0.2563 for the BChE enzyme. Molecule 1 was found to be another effective molecule with a Ki value of 4.217±0.3759 for the GST enzyme. Ethacrynic acid (EA) and tacrine (TAC) were used as positive inhibitions for enzymes of GST and cholinesterases, respectively. The studied molecules were detected to be more effective compared to the standard compounds. Additionally, enzyme inhibitor interaction was examined theoretically by molecular docking.

Keywords

Inhibition, Molecular docking, Piperidine, Cholinesterase, Glutathione S-transferase

Thanks

Çalışmanın deneysel kısmı Iğdır Üniversitesi Araştırma ve Uygulama Laboratuvarında (ALUM) gerçekleştirilmiştir. Çalışma İmkanı bize sağlayan ALUM yönetimine teşekkür ederim. Ayrıca çalışmanın teorik kısmında bize yardımcı olan Doç. Dr. Adnan ÇETİN hocamıza çok teşekkür ederim.

Piperidin Halkası İçeren Bazı Moleküllerin Glutatyon S-Transferaz ve Kolinesteraz Enzimleri Üzerine Etkilerinin Teorik ve Deneysel Olarak İncelenmesi

Abstract

Bu çalışmadaş bünyesinde piperidin halkası bulunduran 1-(2-Furylmethyl) piperidine-3-carboxylic acidhydrochloride (molekül 1), ve 3-Chloro-4-(3,5-dimethyl-1-piperidinyl) aniline (molekül 2) moleküllerinin asetilkolinesteraz (AChE) ve bütirilkolinesteraz (BChE) ve glutatyon s-transferaz (GST) enzimleri için inhibisyon etkileri incelendi. İnhibitörler için hem IC50 hem de Ki çalışmaları yapıldı. Tüm moleküllerin her üç enzim için de iyi birer inhibitör olduğu bulundu. 2.9987±0.2555 Ki değeriyle AChE enzimi için, 1.9301±0.2563 Ki değeriyle de BChE enzimleri için molekül 2’ nin etkin inhibitör olduğu bulundu. GST enzimi için ise en etkili inhibitör 4.217±0.3759 değeriyle molekül 1 tespit edilmiştir. Çalışmada etakrinik asit (EA) GST enziminin, takrin (TAC) ise kolinesteraz enzimlerinin pozitif inhibitörü olarak kullanıldı. Moleküllerin standartlardan daha etkin oldukları ve sonucuna ulaşıldı. Ayrıca moleküler doking yapılarak enzim inhibitör etkileşimi teorik olarak incelendi

Keywords

İnhibisyon, Moleküler doking, Piperidin, Glutatyon S-transferaz, Kolinesteraz

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