Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease

Şaban Kalay; Hatice Akkaya

Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease

Abstract

Many molecular modeling methods have been used for the discovery of new drugs and compounds. Human acetylcholinesterase (AchE), an important target for therapeutic drugs, is docked with AutoDock Vina software embedded in the UCSF Chimera, together with current drug ligands used in the treatment of Alzheimer’s disease and phytochemicals that slow the onset and progression of the disease. Considering protein ligand interactions, affinities and molecular properties, the variance map of the simulated quercetin-AchE complex yielded reasonable results with the molecular dynamics simulation program iMod server, and it can be said that this structure has the potential to act as an inhibitor.

Keywords

References

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Details

Primary Language

English

Subjects

Pharmaceutical Chemistry

Journal Section

Research Article

Authors

Şaban Kalay ^*
0000-0002-9363-0073
Türkiye

Hatice Akkaya
0000-0001-7276-6919
Türkiye

Publication Date

June 28, 2025

Submission Date

September 22, 2023

Acceptance Date

October 4, 2023

Published in Issue

Year 2023 Volume: 27 Number: 6

IZ

https://izlik.org/JA95TP66PS

Cite

RIS / Bibtex

APA

Kalay, Ş., & Akkaya, H. (2025). Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease. Journal of Research in Pharmacy, 27(6), 2199-2209. https://izlik.org/JA95TP66PS

AMA

1.Kalay Ş, Akkaya H. Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease. J. Res. Pharm. 2025;27(6):2199-2209. https://izlik.org/JA95TP66PS

Chicago

Kalay, Şaban, and Hatice Akkaya. 2025. “Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease”. Journal of Research in Pharmacy 27 (6): 2199-2209. https://izlik.org/JA95TP66PS.

EndNote

Kalay Ş, Akkaya H (July 1, 2025) Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease. Journal of Research in Pharmacy 27 6 2199–2209.

IEEE

[1]Ş. Kalay and H. Akkaya, “Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease”, J. Res. Pharm., vol. 27, no. 6, pp. 2199–2209, July 2025, [Online]. Available: https://izlik.org/JA95TP66PS

ISNAD

Kalay, Şaban - Akkaya, Hatice. “Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease”. Journal of Research in Pharmacy 27/6 (July 1, 2025): 2199-2209. https://izlik.org/JA95TP66PS.

JAMA

1.Kalay Ş, Akkaya H. Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease. J. Res. Pharm. 2025;27:2199–2209.

MLA

Kalay, Şaban, and Hatice Akkaya. “Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease”. Journal of Research in Pharmacy, vol. 27, no. 6, July 2025, pp. 2199-0, https://izlik.org/JA95TP66PS.

Vancouver

1.Şaban Kalay, Hatice Akkaya. Molecular Modelling of Some Ligands Against Acetylcholinesterase to Treat Alzheimer’s Disease. J. Res. Pharm. [Internet]. 2025 Jul. 1;27(6):2199-20. Available from: https://izlik.org/JA95TP66PS