ArticleChemistry & biodiversity2026
Design, Synthesis, and Evaluation of Halogenated Indoles Amines as Acetylcholinesterase Inhibitors: Integrated In-Vitro and In-Silico Approaches.
Article in Chemistry & biodiversity, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Alzheimer's disease is a neurodegenerative disease with limited therapeutic options and is most prevalent in the elderly. According to the cholinergic hypothesis, disease progression can be mitigated by inhibiting acetylcholinesterase (AChE). Herein, a series of substituted indole amines 19-42 was designed, synthesized via a Chiron-guided approach to generate structurally diverse 2,3-diphenyl-substituted indole derivatives, and characterized by UV-vis, FT-IR, NMR, and MS. In silico studies, such as molecular docking, molecular dynamics simulations, and ADMET analyses, were performed to evaluate binding interactions, stability, and drug-likeness, followed by in vitro cholinesterase inhibition assays. The compounds exhibited moderate inhibitory activity, with IC
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