Cholinesterase inhibitors for the treatment of Alzheimer's disease: Synthesis, biological analysis and molecular docking study of sulphur containing heterocyclic analogues

IF 2.218 Q2 Chemistry

Chemical Data Collections Pub Date : 2024-03-18 DOI:10.1016/j.cdc.2024.101132

Hayat Ullah , Fazal Rahim , Imad Uddin , Muhammad Taha , Misbah Ullah Khan , Fahad Khan , Shoaib Khan , Rafaqat Hussain , Amjad Hussain , Naveed Iqbal , Farzana Gul

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Abstract

In synthetic medicinal chemistry thiophene and their analogues play a vital role due to the wide range of pharmacological properties. In current studies, we have synthesized a new class of thiophene-bearing sulfonamide analogues (1–11) as cholinesterase inhibitors. These newly synthesized upon esterification, hydrazide formation and finally through sulfonamide mode of synthesis and were characterized through ¹H, ¹³C NMR and HREI-MS spectroscopic techniques. Synthesized analogues showed an excellent to moderate cholinesterase inhibitory potential. Analogues 10, 7, 9 and 11 showed an excellent potency against cholinesterase inhibition as compared to standard Donepezil. The binding interactions of the most potent analogues were confirmed through molecular docking studies. All Compounds were verified for cytotoxicity against 3T3 mouse fibroblast cell line and detected non-toxic.

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治疗阿尔茨海默病的胆碱酯酶抑制剂：含硫杂环类似物的合成、生物学分析和分子对接研究

由于噻吩及其类似物具有广泛的药理特性，因此在合成药物化学中发挥着重要作用。在目前的研究中，我们合成了一类新的噻吩磺酰胺类似物（）作为胆碱酯酶抑制剂。这些新合成的类似物通过酯化、酰肼形成以及磺酰胺合成方式合成，并通过 H、C NMR 和 HREI-MS 光谱技术进行表征。合成的类似物对胆碱酯酶具有极佳的中度抑制潜力。与标准的多奈哌齐相比，类似物对胆碱酯酶的抑制显示出卓越的效力。通过分子对接研究证实了最有效类似物的结合相互作用。所有化合物都对 3T3 小鼠成纤维细胞系进行了细胞毒性验证，结果显示无毒。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Chemical Data Collections Chemistry-Chemistry (all)

CiteScore

6.10

自引率

0.00%

发文量

169

审稿时长

24 days

期刊介绍： Chemical Data Collections (CDC) provides a publication outlet for the increasing need to make research material and data easy to share and re-use. Publication of research data with CDC will allow scientists to: -Make their data easy to find and access -Benefit from the fast publication process -Contribute to proper data citation and attribution -Publish their intermediate and null/negative results -Receive recognition for the work that does not fit traditional article format. The research data will be published as ''data articles'' that support fast and easy submission and quick peer-review processes. Data articles introduced by CDC are short self-contained publications about research materials and data. They must provide the scientific context of the described work and contain the following elements: a title, list of authors (plus affiliations), abstract, keywords, graphical abstract, metadata table, main text and at least three references. The journal welcomes submissions focusing on (but not limited to) the following categories of research output: spectral data, syntheses, crystallographic data, computational simulations, molecular dynamics and models, physicochemical data, etc.