Neuroprotective Evaluation of Murraya Carbazoles: In Vitro and Docking Insights into Their Anti-AChE and Anti-Aβ Activities
Himadri Sharma, Niti Sharma, Seong Soo A. An
TL;DR
This study explores how certain natural compounds from Murraya plants protect brain cells by inhibiting enzymes linked to Alzheimer's disease.
Contribution
The study introduces Murraya carbazole derivatives as novel anti-AChE and anti-Aβ agents with potential for Alzheimer's therapy.
Findings
Murrayanol and mahanimbine showed superior AChE inhibition compared to galantamine.
The compounds reduced Aβ fibrillization by up to 40.83%.
Molecular docking confirmed strong interactions with AChE and Aβ targets.
Abstract
The present study investigated the neuroprotective potential of the Murraya carbazole derivatives murrayanol, mahanimbine, murrayafoline A, and 9-methyl-9H-carbazole-2-carbaldehyde using in silico and in vitro assays. The pharmacokinetic properties and potential toxicity (ADME/T) of the carbazole derivatives were assessed to evaluate their prospects as up-and-coming drug candidates. Molecular docking was used to investigate the interactions of the compounds with Aβ (PDB: 1IYT, 2BEG, and 8EZE) and AChE receptors (PDB: 4EY7 and 1C2B). The results from the in vitro assays were used to validate and support the findings from the in silico assays. The compounds demonstrated significant inhibition of acetylcholinesterase (AChE), a key target in neurodegenerative disorders. Murrayanol and mahanimbine presented superior inhibitory activity (IC50 ~0.2 μg/mL), outperforming the reference drug,…
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Taxonomy
TopicsCholinesterase and Neurodegenerative Diseases · Computational Drug Discovery Methods · Medicinal Plants and Neuroprotection