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Crystal structure, DFT calculations and evaluation of 2-(2-(3,4-dimethoxyphenyl)ethyl)isoindoline-1,3-dione as AChE inhibitor

Overview of attention for article published in Chemistry Central Journal, June 2018
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  • Above-average Attention Score compared to outputs of the same age (52nd percentile)

Mentioned by

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2 tweeters

Citations

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2 Dimensions

Readers on

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3 Mendeley
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Title
Crystal structure, DFT calculations and evaluation of 2-(2-(3,4-dimethoxyphenyl)ethyl)isoindoline-1,3-dione as AChE inhibitor
Published in
Chemistry Central Journal, June 2018
DOI 10.1186/s13065-018-0442-1
Pubmed ID
Authors

Erik Andrade-Jorge, José Bribiesca-Carlos, Francisco J. Martínez-Martínez, Marvin A. Soriano-Ursúa, Itzia I. Padilla-Martínez, José G. Trujillo-Ferrara

Abstract

Dioxoisoindolines have been included as a pharmacophore group in diverse drug-like molecules with a wide range of biological activity. Various reports have shown that phthalimide derivatives are potent inhibitors of AChE, a key enzyme involved in the deterioration of the cholinergic system during the development of Alzheimer's disease. In the present study, 2-(2-(3,4-dimethoxyphenyl)ethyl)isoindoline-1,3-dione was synthesized, crystallized and evaluated as an AChE inhibitor. The geometric structure of the crystal and the theoretical compound (from molecular modeling) were analyzed and compared, finding a close correlation. The formation of the C6-H6···O19 interaction could be responsible for the non-negligible out of phenyl plane deviation of the C19 methoxy group, the O3 from the carbonyl group lead to C16-H16···O3i intermolecular interactions to furnish C(9) and C(14) infinite chains within the (- 4 0 9) and (- 3 1 1) families of planes. Finally, the biological experiments reveal that the isoindoline-1,3-dione exerts a good competitive inhibition on AChE (Ki = 0.33-0.93 mM; 95% confidence interval) and has very low acute toxicity (LD50 > 1600 mg/kg) compared to the AChE inhibitors currently approved for clinical use.

Twitter Demographics

The data shown below were collected from the profiles of 2 tweeters who shared this research output. Click here to find out more about how the information was compiled.

Mendeley readers

The data shown below were compiled from readership statistics for 3 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 3 100%

Demographic breakdown

Readers by professional status Count As %
Student > Master 2 67%
Other 1 33%
Student > Ph. D. Student 1 33%
Readers by discipline Count As %
Pharmacology, Toxicology and Pharmaceutical Science 1 33%
Unspecified 1 33%
Chemistry 1 33%
Medicine and Dentistry 1 33%

Attention Score in Context

This research output has an Altmetric Attention Score of 2. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 21 July 2018.
All research outputs
#7,160,855
of 13,255,897 outputs
Outputs from Chemistry Central Journal
#185
of 569 outputs
Outputs of similar age
#122,140
of 267,488 outputs
Outputs of similar age from Chemistry Central Journal
#1
of 1 outputs
Altmetric has tracked 13,255,897 research outputs across all sources so far. This one is in the 44th percentile – i.e., 44% of other outputs scored the same or lower than it.
So far Altmetric has tracked 569 research outputs from this source. They receive a mean Attention Score of 3.8. This one has gotten more attention than average, scoring higher than 66% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 267,488 tracked outputs that were published within six weeks on either side of this one in any source. This one has gotten more attention than average, scoring higher than 52% of its contemporaries.
We're also able to compare this research output to 1 others from the same source and published within six weeks on either side of this one. This one has scored higher than all of them