Kinetics and molecular docking of vasicine from Adhatoda vasica: An acetylcholinesterase inhibitor for Alzheimer's disease

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Abstract

The alcoholic extract of Adhatoda vasica showed strong and reversible inhibition of the enzyme acetyl cholinesterase (AChE) with an IC50 = 294 μg/mL. Phytochemical study of the total alcoholic extract of A. vasica yielded four known compounds vasicine, vasicinone, vasicole and anisotine. Vasicine reversibly and competitively inhibited AChE with ki value 11.24 μM. On the other hand, rest of isolated alkaloids showed no/or weak inhibitory effect on AChE. Vasicine showed binding similarity to both galantamine and tacrine in the catalytic site. The obtained results support the multi-pharmacological properties of vasicine, which can be considered as a promising inhibitor for acetyl cholinesterase where it can be used directly or indirectly for the development of efficient anti-Alzheimer drug.

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Ali, S. K., Hamed, A. R., Soltan, M. M., El-Halawany, A. M., Hegazy, U. M., & Hussein, A. A. (2016). Kinetics and molecular docking of vasicine from Adhatoda vasica: An acetylcholinesterase inhibitor for Alzheimer’s disease. South African Journal of Botany, 104, 118–124. https://doi.org/10.1016/j.sajb.2015.09.021

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