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هفتمین همایش بیو انفورماتیک ایران
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| عنوان فارسی |
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| کلیدواژههای فارسی مقاله |
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| عنوان انگلیسی |
Design and Synthesis of the Novel Coumarin-Quinoline Hybrids as Multitarget Inhibitors of the Acetylcholinesterase, Butyrylcholinesterase and Monoamine oxidase-B |
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| چکیده انگلیسی مقاله |
Designing hybrid compounds as selective multitarget chemical object is a challenge, opportunity, and new idea to better performance against specific multiple targets. Inhibition of acetylcholinesterase (AChE), butyrylcholinesterase (BuChE) and Monoamine oxidase-B (MAO-B) are considered an important therapeutic strategies for the treatment of Alzheimer’s disease (AD). A series of novel hybrids with the coumarin-quinoline scaffold as anti-AD potential compounds have been designed and synthesized by ugi-reaction. To understand the enzymes–inhibitors interactions and the selectivity of the best compound towards AChE, BuChE and MAO-B, molecular modeling studies were performed. Docking studies confirm that these compounds block both catalytic and peripheral sites of AChE and BuChE and MAO-B as well as. The careful analysis of this investigation revealed that the compounds L1, L4 and L8 for AChE and L6 and L14 for BuChE and L4 for MAO-B as the most promising compounds based on the docking score energies and hydrogen bonds distances. The results of this investigation provide valuable information on the design of coumarin-quinoline derivatives as multitarget inhibitors of the AChE, BuChE and MAO-B. |
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| کلیدواژههای انگلیسی مقاله |
Acetylcholinesterase (AChE), Butyrylcholinesterase (BuChE), Monoamine oxidase-B (MAO-B), Coumarin-Quinoline Hybrids, Synthesis, Molecular docking |
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| نویسندگان مقاله |
Mahboubeh Mansourian - University of Medical Sciences of Yasuj-Yasuj
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| نشانی اینترنتی |
http://www.icb7.ir |
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| زبان مقاله منتشر شده |
en |
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