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• W3048650308 endingPage "3644" @default.
• W3048650308 startingPage "3644" @default.
• W3048650308 abstract "Acetylcholinesterase (AChE) and beta-secretase (BACE-1) are the two crucial enzymes involved in the pathology of Alzheimer’s disease. The former is responsible for many defects in cholinergic signaling pathway and the latter is the primary enzyme in the biosynthesis of beta-amyloid as the main component of the amyloid plaques. These both abnormalities are found in the brains of Alzheimer’s patients. In this study, in silico models were developed, including 3D-pharmacophore, 2D-QSAR (two-dimensional quantitative structure-activity relationship), and molecular docking, to screen virtually a database of compounds for AChE and BACE-1 inhibitory activities. A combinatorial library containing more than 3 million structures of curcumin and flavonoid derivatives was generated and screened for drug-likeness and enzymatic inhibitory bioactivities against AChE and BACE-1 through the validated in silico models. A total of 47 substances (two curcumins and 45 flavonoids), with remarkable predicted pIC50 values against AChE and BACE-1 ranging from 4.24–5.11 (AChE) and 4.52–10.27 (BACE-1), were designed. The in vitro assays on AChE and BACE-1 were performed and confirmed the in silico results. The study indicated that, by using in silico methods, a series of curcumin and flavonoid structures were generated with promising predicted bioactivities. This would be a helpful foundation for the experimental investigations in the future. Designed compounds which were the most feasible for chemical synthesis could be potential candidates for further research and lead optimization." @default.
• W3048650308 created "2020-08-18" @default.
• W3048650308 creator A5001552027 @default.
• W3048650308 creator A5004071293 @default.
• W3048650308 creator A5007436802 @default.
• W3048650308 creator A5026905161 @default.
• W3048650308 date "2020-08-10" @default.
• W3048650308 modified "2023-10-02" @default.
• W3048650308 title "Design of Curcumin and Flavonoid Derivatives with Acetylcholinesterase and Beta-Secretase Inhibitory Activities Using in Silico Approaches" @default.
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• W3048650308 cites W1978818669 @default.
• W3048650308 cites W1982177423 @default.
• W3048650308 cites W1982204196 @default.
• W3048650308 cites W1985988204 @default.
• W3048650308 cites W1986240377 @default.
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• W3048650308 doi "https://doi.org/10.3390/molecules25163644" @default.
• W3048650308 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7464027" @default.
• W3048650308 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32785161" @default.
• W3048650308 hasPublicationYear "2020" @default.
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