Novel pyridine‐containing sultones: Structure‐activity relationship and biological evaluation as selective AChE inhibitors for the treatment of Alzheimer’s disease

ChemMedChem ◽  
2021 ◽  
Author(s):  
Wenjian Tang ◽  
Hong Zhang ◽  
Chengyao Wu ◽  
Xing Chen ◽  
Ziwen Zhang ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Structure Activity Relationship ◽  
Biological Evaluation ◽  
Activity Relationship ◽  
Ache Inhibitors ◽  
Structure Activity

Understanding the quantitative structure–activity relationship of acetylcholinesterase inhibitors for the treatment of Alzheimer's disease

2015 ◽  
Vol 14 (06) ◽  
pp. 1550040 ◽  
Author(s):  
Anuradha Sharma ◽  
Poonam Piplani
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structural Basis ◽  
Quantitative Structure ◽  
Structure Activity ◽  
Qsar Models ◽  
Relationship Of

Alzheimer's disease (AD) is the most common cause of dementia in old aged people and clinically used drugs for treatment are associated with side effects. Thus, there is a current demand for the discovery and development of new potential molecules. However, the recent advances in drug therapy have challenged the predominance of the disease. In this manuscript, an attempt has been made to develop the 2D and 3D quantitative structure–activity relationship (QSAR) models for a series of rutaecarpine, quinazolines and 7,8-dehydrorutaecarpine derivatives to obtain insights to Acetylcholinesterase (AChE) inhibition. Five different QSAR models have been generated and validated using a set of 52 compounds comprising of varying scaffolds with IC50 values ranging from 11,000 nM to 0.6 nM. These AChE-specific prediction models (M1–M5) adequately reflect the structure–activity relationship of the existing AChE inhibitors. Out of all developed models, QSAR model generated using ADME properties has been found to be the best with satisfactory statistical significance (regression (r2) of 0.9309 and regression adjusted coefficient of variation [Formula: see text] of 0.9194). The QSAR models highlight the importance of aromatic moiety as their presence in the structure influence the biological activity. Additional insights on the compounds show that acyclic amines attached to side chain have lower activity than cyclic amines. The QSAR models pinpointing structural basis for the AChEIs suggest new guidelines for the design of novel molecules.

Xanthone: Potential Acetylcholinesterase Inhibitor for Alzheimer's Disease Treatment

2021 ◽  
Vol 21 ◽  
Author(s):  
Vincentsia Vienna Vanessa ◽  
Siau Hui Mah
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Neurodegenerative Disorder ◽  
Acetylcholinesterase Inhibitor ◽  
Structure Activity Relationship ◽  
Acetylcholinesterase Inhibition ◽  
Activity Relationship ◽  
Structure Activity ◽  
Hydrophobic Moiety

: Alzheimer's disease is a neurodegenerative disorder that results in progressive and irreversible central nervous system impairment, which has become one of the severe issues recently. The most successful approach of Alzheimer’s treatment is the administration of cholinesterase inhibitors to prevent the hydrolysis of acetylcholine and subsequently improve the cholinergic postsynaptic transmission. This review highlights a class of heterocycle, namely xanthone and its remarkable acetylcholinesterase inhibitory activities. Naturally occurring xanthones, including oxygenated, prenylated, pyrano and glycosylated xanthones exhibited promising inhibition effects towards acetylcholinesterase. Interestingly, synthetic xanthone derivatives with complex substituents such as alkyl, pyrrolidine, piperidine and morpholine have shown greater acetylcholinesterase inhibition activities. Structure-activity relationship of xanthones revealed that the type and position of substituent(s) attached to the xanthone moiety influenced their acetylcholinesterase inhibition activities where hydrophobic moiety will lead to an improved activity by contributing the π-π interactions, as well as the hydroxy substituent(s) by forming hydrogen-bond interactions. Thus, further studies including quantitative structure-activity relationship, in vivo and clinical validation studies are crucial for the development of xanthones into novel anti-Alzheimer's disease drugs.

scholarly journals Multiple reactivities of flavonoids towards pathological elements in Alzheimer's disease: structure–activity relationship

2020 ◽  
Vol 11 (37) ◽  
pp. 10243-10254 ◽  
Author(s):  
Geewoo Nam ◽  
Mannkyu Hong ◽  
Juri Lee ◽  
Hyuck Jin Lee ◽  
Yonghwan Ji ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Structure Activity Relationship ◽  
Structural Features ◽  
Activity Relationship ◽  
Structure Activity

The structural features of flavonoids responsible for their versatile reactivities against four pathogenic elements of Alzheimer's disease were identified.

scholarly journals Structure-activity relationship study of diterpenes for treatment of Alzheimer’s disease

Química Nova ◽  
2017 ◽  
Author(s):  
Gabriel Franco dos Santos ◽  
Rondinelle Gomes Pereira ◽  
Maria Amélia Diamantino Boaventura ◽  
Francisco A Macias ◽  
Gesiane da Silva Lima ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Relationship Study
Sign in / Sign up

Export Citation Format

Share Document