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                <text>Coronavirus</text>
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                <text>Dominio científico: Coronavirus</text>
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              <text>Graveoline Analogs Exhibiting Selective Acetylcholinesterase Inhibitory Activity as Potential Lead Compounds for the Treatment of Alzheimer’s Disease</text>
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              <text>Zeng Li, Chaoyu Mu, Bin Wang, Juan Jin</text>
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              <text>This study designed and synthesized a series of new graveoline analogs on the basis of the structural characteristics of acetylcholinesterase (AChE) dual-site inhibitors. The activity of these analogs was also evaluated. Results showed that the synthesized graveoline analogs displayed stronger inhibitory activity against AChE and higher selectivity than butyrylcholine esterase (BuChE) (Selectivity Index from 45 to 486). When the two sites in the graveoline parent ring substituting phenyl and amino terminal had six chemical bonds (n = 3) and the terminal amino was piperidine, compound 5c showed the best activity. Furthermore, the mechanism of action and binding mode were explored by enzyme kinetic simulation, molecular docking, and thioflavin T-based fluorometric assay. Cytotoxicity assay showed that the low concentration of the analogs did not affect the viability of the neurocyte SH-SY5Y.</text>
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              <text>2016</text>
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              <text>graveoline analogs, Acetylcholinesterase (AChE), butyrylcholine esterase (BuChE), structure–function relationships (SARs), mechanism</text>
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              <text>DOI: 10.3390/molecules21020132</text>
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              <text>Molecules</text>
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              <text>MDPI AG</text>
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              <text>Organic chemistry</text>
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              <text>EN</text>
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