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VOL. 9, ISSUE 12 (2024)
Exploring [1, 1'-bianthracene]-9, 9', 10, 10'-tetrone from Senna hirsuta as a potential acetylcholinesterase inhibitor for alzheimer's disease treatment: An In-Silico investigation
Authors
Kalpana Rawat, Disha Tewari, Amisha Bisht, Subhash Chandra
Abstract
Alzheimer's disease (AD) is a progressive
neurodegenerative disorder associated with the dysfunction of
acetylcholinesterase (AChE), a key enzyme in neurotransmitter regulation. This
study focused on constructing a phytochemical library of 71 compounds isolated
from Senna hirsuta. Using a systematic in silico approach, including
molecular docking and ADMET profiling, [1,1'-Bianthracene]-9,9',10,10'-tetrone
(CID: 6737485) emerged as a promising candidate. The compound demonstrated a
strong binding affinity with AChE, achieving a binding energy of -12.4 kJ/mol,
which outperformed the reference molecule (-10.6 kJ/mol), indicating
significant therapeutic potential. Drug-likeness and ADMET assessments further
support its potential as a novel compound for AD treatment. Experimental
validation is essential to confirm its efficacy and advance its development as
a treatment for AD.
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Pages:42-45
How to cite this article:
Kalpana Rawat, Disha Tewari, Amisha Bisht, Subhash Chandra "Exploring [1, 1'-bianthracene]-9, 9', 10, 10'-tetrone from <i>Senna hirsuta</i> as a potential acetylcholinesterase inhibitor for alzheimer's disease treatment: An <i>In-Silico</i> investigation". International Journal of Botany Studies, Vol 9, Issue 12, 2024, Pages 42-45
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