Design, synthesis, biological activity, molecular docking, and molecular dynamics of novel benzimidazole derivatives as potential AChE/MAO-B dual inhibitors

Autor:	Derya Osmaniye, Asaf E. Evren, Begüm N. Sağlık, Serkan Levent, Yusuf Özkay, Zafer A. Kaplancıklı
Rok vydání:	2021
Předmět:	Molecular Docking Simulation Kinetics Structure-Activity Relationship Monoamine Oxidase Inhibitors Molecular Structure Butyrylcholinesterase Drug Discovery Acetylcholinesterase Pharmaceutical Science Benzimidazoles Cholinesterase Inhibitors Molecular Dynamics Simulation Monoamine Oxidase
Zdroj:	Archiv der PharmazieREFERENCES. 355(3)
ISSN:	1521-4184
Popis:	To develop new acetylcholinesterase (AChE)-monoamine oxidase-B (MAO-B) dual inhibitors against Alzheimer's disease, the benzimidazole ring, which has a propargyl side chain with previously proven selective MAO-B inhibitory activity, was used as the main structure. Moreover, like donepezil, it was thought that the enzyme AChE would provide π-π interactions with the peripheral anionic side in this structure. Piperazine derivatives were chosen for the cationic active site. The synthesis of the compounds was carried out in five steps. The structures of the compounds were determined using
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eeeb37462511d2689535ce4ffa5c44e2 https://pubmed.ncbi.nlm.nih.gov/34931332 Zobrazit plný text záznamu Plný text