QSAR analysis of the acetylcholinesterase inhibitory activity of some tertiary amine derivatives of cinnamic acid

2021 ◽  
Author(s):  
Mohsen Nekoeinia ◽  
Saeed Yousefinejad
Keyword(s):  
Cinnamic Acid ◽  
Tertiary Amine ◽  
Inhibitory Activity ◽  
Qsar Analysis ◽  
Acetylcholinesterase Inhibitory Activity ◽  
Derivatives Of

SEMI-SYNTHESIS AND EVALUATION OF HESPERETIN DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS7

2018 ◽  
Vol 8 (4) ◽  
pp. 7-12
Author(s):  
Huan Tran The ◽  
Dao Tran Thanh
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Key Words ◽  
Inhibitory Activity ◽  
Acetylcholinesterase Inhibitory Activity ◽  
Ic50 Value ◽  
Ellman’S Method ◽  
Further Development ◽  
Derivatives Of

Background: Inhibition of acetylcholinesterase are regarded as one of promising approach to treat Alzheimer’s disease. Hesperetin is a potential flavonoid for further development in this direction. Objectives: Semi-synthesized and assayed for hesperetin derivatives’s acetylcholinesterase inhibitory activity in vitro. Materials and methods: Ester and ether derivatives of hesperetin were semi-synthesized. The semi-synthesis compounds were tested for acetylcholinesterase inhibitory activity in vitro according to the Ellman’s method. Results: Hesperetin is obtained by hydrolysing hesperidin. Then, two ester and two ether derivatives were semi-synthesized from hesperetin. The results showed that some of the semi-synthesis hesperetin derivatives displayed stronger acetylcholinesterase inhibitory activity than hesperetin. Among them, derivative 1 has the best activity with an IC50 value of 43.50 μM. Conclusions: Four hesperetin derivatives were semi-synthesized and investigated their acetylcholinesterase inhibitory activity, some of which showed improvement in activity. Key words: Hesperetin, semi-synthesis, inhibit, enzyme, acetylcholinesterase

scholarly journals CHEMICAL CONSTITUENTS AND ACETYLCHOLINESTERASE ACTIVITY FROM Polyalthia sumatrana (Miq.) Kurz

2022 ◽  
Vol 52 (1) ◽  
pp. 73-76
Author(s):  
Wan Mohd Nuzul Hakimi Wan Salleh ◽  
Natasa Mohd Shakri ◽  
Mohd Azlan Nafiah ◽  
Shamsul Khamis
Keyword(s):  
Cinnamic Acid ◽  
Vanillic Acid ◽  
Inhibitory Activity ◽  
Spectroscopic Data ◽  
Chemical Constituents ◽  
Acetylcholinesterase Activity ◽  
Isolation And Identification ◽  
Acetylcholinesterase Inhibitory Activity ◽  
Reported Data

This study was carried out to investigate the phytochemicals from Polyalthia sumatrana and their acetylcholinesterase inhibitory activity. Fractionation and purification of the leaves of P. sumatrana led to the isolation and identification of five alkaloids; boldine (1), norboldine (2), liriodenine (3), predicentrine (4), laurotetanine (5) together with β-sitosterol (6), β-sitostenone (7), vanillin (8), vanillic acid (9) and cinnamic acid (10). The structures of these compounds were obtained by analysis of their spectroscopic data, as well as the comparison with that of reported data. Acetylcholinesterase inhibitory activity revealed that all isolated alkaloids were found to inhibit AChE with percentage inhibition values ranged from 45.0 to 80.6%.

Bromotyrosine alkaloids with acetylcholinesterase inhibitory activity from the Thai sponge Acanthodendrilla sp.

Planta Medica ◽  
2016 ◽  
Vol 81 (S 01) ◽  
pp. S1-S381
Author(s):  
N Sirimangkalakitti ◽  
M Yokoya ◽  
K Changwichit ◽  
T Saesong ◽  
OJ Olatunji ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
Acetylcholinesterase Inhibitory Activity

QSAR Analysis of Selected Antimicrobial Structures Belonging to Nitro-derivatives of Heterocyclic Compounds

2020 ◽  
Vol 17 (2) ◽  
pp. 214-225 ◽  
Author(s):  
Piotr Kawczak ◽  
Leszek Bober ◽  
Tomasz Bączek
Keyword(s):  
Antimicrobial Activity ◽  
Heterocyclic Compounds ◽  
Molecular Descriptors ◽  
Microbiological Activity ◽  
Activity Data ◽  
Qsar Analysis ◽  
Qsar Models ◽  
Nitro Derivatives ◽  
Semi Empirical ◽  
Derivatives Of

Background: Nitro-derivatives of heterocyclic compounds were used as active agents against pathogenic microorganisms. A set of 4- and 5-nitroimidazole derivatives exhibiting antimicrobial activity was analyzed with the use of Quantitative Structure-Activity Relationships (QSAR) method. The study included compounds used both in documented treatment and those described as experimental. Objective: The purpose of this study was to demonstrate the common and differentiating characteristics of the above-mentioned chemical compounds alike physicochemically as well as pharmacologically based on the quantum chemical calculations and microbiological activity data. Methods: During the study PCA and MLR analysis were performed, as the types of proposed chemometric approach. The semi-empirical and ab initio level of in silico molecular modeling was performed for calculations of molecular descriptors. Results: QSAR models were proposed based on chosen descriptors. The relationship between the nitro-derivatives structure and microbiological activity data was able to class and describe the antimicrobial activity with the use of statistically significant molecular descriptors. Conclusion: The applied chemometric approaches revealed the influential features of the tested structures responsible for the antimicrobial activity of studied nitro-derivatives.

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