Molecular networking based dereplication of AChE inhibitory compounds from the medicinal plant Vincetoxicum funebre (Boiss. & Kotschy) was written by Abbas-Mohammadi, Mahdi;Moridi Farimani, Mahdi;Salehi, Peyman;Ebrahimi, Samad Nejad;Sonboli, Ali;Kelso, Celine;Skropeta, Danielle. And the article was included in Journal of Biomolecular Structure and Dynamics in 2022.Electric Literature of C21H44O5 The following contents are mentioned in the article:
Alzheimer′s disease (AD) is a devastating neurodegenerative disease affecting 47 million people worldwide. While acetylcholinesterase (AChE) inhibitors such as donepezil and galantamine are leading drugs in the symptomatic treatment of AD, new AChE inhibitors continue to be explored for improved potency and selectivity. Herein, a mol. networking approach using high resolution (HR-MS) and tandem mass spectrometry (MS2) has been used for rapid chem. profiling of an extract of the medicinal plant Vincetoxicum funebre Boiss. & Kotschy (Apocynaceae family) that was active against AChE. A total of 44 compounds were identified by combining the MN with traditional natural product methods, including the isolation and identification of five known compounds (13, 41-44) and a novel C13-norisoprenoid (40). In addition, the potential inhibitory activity of all 44 compounds was evaluated against the AChE enzyme via mol. docking to provide further support to the proposed structures. The glycosylated flavonoid querciturone (31) exhibited the highest affinity with a docking score value of -13.43 kJ/mol. Another five compounds showed stronger docking scores against AChE than the clin. used donepezil including the most active isolated compound daucosterol (44), with a binding affinity of -10.11 kJ/mol towards AChE. These findings broaden our understanding of Vincetoxicum metabolites and highlight the potential of glycosylated flavonoids as AChE inhibitors. This study involved multiple reactions and reactants, such as Glyceryl monostearate (cas: 31566-31-1Electric Literature of C21H44O5).
Glyceryl monostearate (cas: 31566-31-1) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Electric Literature of C21H44O5
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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics