mof催化多组分一锅合成1-((苯并[d]噻唑-2-氨基)(苯基)甲基)萘-2-醇衍生物,体外抗阿尔茨海默病验证和DFT计算

IF 2.8 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Polyhedron Pub Date : 2025-02-15 Epub Date: 2024-12-19 DOI:10.1016/j.poly.2024.117361
Mahmoud Tarek , Tamer K. Khatab , Abdulrahman A. Almehizia , Ahmed M. Naglah , Amer A. Zen , Gehad E. Said
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引用次数: 0

摘要

烟酸或维生素b3有很多重要的生物学用途。通过IR、SEM、EDX、TEM、XRD和DFT计算对其结构和形态进行了理化表征,并将其表征为铜的金属有机骨架(MOF)。在无溶剂条件下,以Cu/NA-MOF为催化剂,以2-氨基苯并噻唑、芳香醛和2-萘酚为原料,通过一锅催化合成成功了1-((苯并[d]噻唑-2-氨基)(苯基)甲基)萘-2-醇衍生物。将制备的产物作为乙酰胆碱酯酶抑制剂(AChE抑制剂)进行对接和体外评价,并与多奈哌齐作为阿尔茨海默病参比药物进行比较。所得数据说明化合物4-((苯并[d]噻唑-2-氨基)(2-羟基萘-1-基)甲基)苯基4-甲基苯甲酸酯(4i)具有良好的记录。
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A proficient MOF-catalyzed multicomponent one-pot synthesis of 1-((benzo[d]thiazol-2-ylamino)(phenyl)methyl)naphthalen-2-ol derivatives with in vitro anti-Alzheimer validation and DFT calculations
Nicotinic acid or vit-B3 has a lot of important biological uses. It can also be presented as Metal-Organic Framework (MOF) with copper which is presented as a catalyst after the physicochemical characterization of its structure and morphological properties by IR, SEM, EDX, TEM, XRD and DFT calculation. 1-((Benzo[d]thiazol-2-ylamino)(phenyl)methyl) naphthalen-2-ol derivatives were successfully prepared by one-pot catalytic synthesis through the reaction between 2-aminobenzothiazole, aromatic aldehyde and 2-naphthol in the presence of Cu/NA-MOF as a catalyst under solvent-free conditions. The prepared products undergo docking and in vitro evaluation as acetylcholine esterase inhibitors (AChE inhibitors) and are compared with Donepezil as a reference Alzheimer’s drug. The data obtained explained that compound 4-((benzo[d]thiazol-2-ylamino)(2-hydroxynaphthalen-1-yl)methyl)phenyl 4-methylbenzoate (4i) gives promising records.
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来源期刊
Polyhedron
Polyhedron 化学-晶体学
CiteScore
4.90
自引率
7.70%
发文量
515
审稿时长
2 months
期刊介绍: Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in all the major areas of inorganic chemistry. This includes synthetic chemistry, coordination chemistry, organometallic chemistry, bioinorganic chemistry, and solid-state and materials chemistry. Papers should be significant pieces of work, and all new compounds must be appropriately characterized. The inclusion of single-crystal X-ray structural data is strongly encouraged, but papers reporting only the X-ray structure determination of a single compound will usually not be considered. Papers on solid-state or materials chemistry will be expected to have a significant molecular chemistry component (such as the synthesis and characterization of the molecular precursors and/or a systematic study of the use of different precursors or reaction conditions) or demonstrate a cutting-edge application (for example inorganic materials for energy applications). Papers dealing only with stability constants are not considered.
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