dc.contributor.author | Hussein, Mai E. | |
dc.contributor.author | Mohamed, Osama G. | |
dc.contributor.author | El-Fishawy, Ahlam M. | |
dc.contributor.author | El-Askary, Hesham I. | |
dc.contributor.author | Hamed, Ahmed A. | |
dc.contributor.author | Abdel-Aziz, Marwa M. | |
dc.contributor.author | Alnajjar, Radwan | |
dc.contributor.author | Belal, Amany | |
dc.contributor.author | Naglah, Ahmed M. | |
dc.contributor.author | Almehizia, Abdulrahman A. | |
dc.contributor.author | El Senousy, Amira S. | |
dc.contributor.author | Tripathi, Ashootosh | |
dc.contributor.author | Al-Karmalawy, Ahmed A. | |
dc.date.accessioned | 2022-12-25T10:03:41Z | |
dc.date.available | 2022-12-25T10:03:41Z | |
dc.date.issued | 2022-11-30 | |
dc.identifier.uri | http://repository.limu.edu.ly/handle/123456789/4577 | |
dc.description.abstract | Alzheimer’s disease remains a global health challenge and an unmet need requiring
innovative approaches to discover new drugs. The current study aimed to investigate the inhibitory
activity of Albizia lucidior and Albizia procera leaves against acetylcholinesterase enzyme in vitro
and explore their chemical compositions. Metabolic profiling of the bioactive plant, A. lucidior, via
UHPLC/MS/MS-based Molecular Networking highlighted the richness of its ethanolic extract with
budmunchiamine alkaloids, fourteen budmunchiamine alkaloids as well as four new putative ones
were tentatively identified for the first time in A. lucidior. Pursuing these alkaloids in the fractions
of A. lucidior extract via molecular networking revealed that alkaloids were mainly concentrated
in the ethyl acetate fraction. In agreement, the alkaloid-rich fraction showed the most promising
anticholinesterase activity (IC50 5.26 µg/mL) versus the ethanolic extract and ethyl acetate fraction
of A. lucidior (IC50 24.89 and 6.90 µg/mL, respectively), compared to donepezil (IC50 3.90 µg/mL).
Furthermore, deep in silico studies of tentatively identified alkaloids of A. lucidior were performed.
Notably, normethyl budmunchiamine K revealed superior stability and receptor binding affinity
compared to the two used references: donepezil and the co-crystallized inhibitor (MF2 700). This was
concluded based on molecular docking, molecular dynamics simulations and molecular mechanics
generalized born/solvent accessibility (MM–GBSA) calculations. | en_US |
dc.language.iso | en | en_US |
dc.publisher | Faculty of Pharmacy | en_US |
dc.rights | Attribution 3.0 United States | * |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/us/ | * |
dc.title | Anticholinesterase Activity of Budmunchiamine Alkaloids Revealed by Comparative Chemical Profiling of Two Albizia spp., Molecular Docking and Dynamic Studies | en_US |
dc.type | Article | en_US |