Computational and In-Vitro Validation of Natural Molecules as Potential Acetylcholinesterase Inhibitors and Neuroprotective Agents

Kumar Ashwani; Mehta Vineet; Raj Utkarsh; Varadwaj Pritish Kumar; Udayabanu Malairaman; Yennamalli Ragothaman M.; Singh Tiratha Raj

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Computational and In-Vitro Validation of Natural Molecules as Potential Acetylcholinesterase Inhibitors and Neuroprotective Agents

机译：天然分子的计算和体外验证作为潜在的乙酰胆碱酯酶抑制剂和神经保护剂

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Background: Cholinesterase inhibitors are the first line of therapy for the management of Alzheimer's disease (AD), however, it is now established that they provide only temporary and symptomatic relief, besides, having several inherited side-effects. Therefore, an alternative drug discovery method is used to identify new and safer 'disease-modifying drugs'.

机译：背景：胆碱酯酶抑制剂是Alzheimer疾病（广告）管理的第一条疗法，然而，现在已经确定了它们仅提供了几种遗传副作用的临时和症状缓解。因此，替代药物发现方法用于识别新的和更安全的疾病改性药物。

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来源
《Current Alzheimer research》 |2019年第2期|共12页
作者
Kumar Ashwani; Mehta Vineet; Raj Utkarsh; Varadwaj Pritish Kumar; Udayabanu Malairaman; Yennamalli Ragothaman M.; Singh Tiratha Raj;
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作者单位

Jaypee Univ Informat Technol Dept Biotechnol &

Bioinformat Solan 173234 Himachal Prades India;

Jaypee Univ Informat Technol Dept Pharm Solan 173234 Himachal Prades India;

Indian Inst Informat Technol Allahabad Allahabad 211012 Uttar Pradesh India;

Indian Inst Informat Technol Allahabad Allahabad 211012 Uttar Pradesh India;

Jaypee Univ Informat Technol Dept Pharm Solan 173234 Himachal Prades India;

Jaypee Univ Informat Technol Dept Biotechnol &

Bioinformat Solan 173234 Himachal Prades India;

Jaypee Univ Informat Technol Dept Biotechnol &

Bioinformat Solan 173234 Himachal Prades India;

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原文格式 PDF
正文语种 eng
中图分类神经病学与精神病学;
关键词
Alzheimer's disease; molecular docking; molecular dynamics simulations; neurotoxicity; protein-ligand interactions; primary neuronal culture;

机译：阿尔茨海默病;分子对接;分子动力学模拟;神经毒性;蛋白质 - 配体相互作用;原发性神经元培养物;

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专利

1. Computational and In-Vitro Validation of Natural Molecules as Potential Acetylcholinesterase Inhibitors and Neuroprotective Agents [J] . Kumar Ashwani, Mehta Vineet, Raj Utkarsh, Current Alzheimer research . 2019,第2期

机译：天然分子的计算和体外验证作为潜在的乙酰胆碱酯酶抑制剂和神经保护剂
2. Discovery of Hydrazinecarboxamide or Hydrazinecarbothioamide Bearing Small Molecules as Dual Inhibitor of Ras Protein and Carbonic Anhydrase Enzyme as Potential Anticancer Agent Using Validated Docking Study and In-silico ADMET Profile. [J] . Supriyo Saha Research Journal of Pharmaceutical, Biological and Chemical Sciences . 2014,第3期

机译：使用验证的对接研究和In-silico ADMET分布图发现带有小分子的Ras蛋白和碳酸酐酶作为潜在抗癌剂的双分子的肼基甲酰胺或肼基甲硫基酰胺。
3. Discovery of Hydrazinecarboxamide or Hydrazinecarbothioamide Bearing Small Molecules as Dual Inhibitor of Ras Protein and Carbonic Anhydrase Enzyme as Potential Anticancer Agent Using Validated Docking Study and In-silico ADMET Profile. [J] . E. KADIVAR, Kh. RAHIMI, M. A. SHAHZAMANIAN Research Journal of Pharmaceutical, Biological and Chemical Sciences . 2014,第3期

机译：使用验证的对接研究和In-silico ADMET分布图发现带有小分子的Ras蛋白和碳酸酐酶作为潜在抗癌剂的双分子的肼基甲酰胺或肼基甲硫基酰胺。
4. A computational approach to use the active principles in Custard apple (Annona squamosa), as an ectoparasiticide by using potential target Acetylcholinesterase of Rhipicephalus sanguineus (Brown dog tick) [C] . S. Pavithra, S.P. Preetha, P.L. Sujatha, International Conference on Advances in Electrical, Electronics, Information, Communication and Bio-Informatics . 2016

机译：一种计算方法，可通过使用潜在的目标性Rhipicephalus sanguineus（棕色狗tick）乙酰胆碱酯酶，将南美释迦（Annona squamosa）的活性成分用作除草剂。
5. Study of Neuroprotective Effect of Cryptotanshinone, an Acetylcholinesterase Inhibitor, in Cell and Animal Models. [D] . Wong, Kin Kwan Kelvin. 2009

机译：乙酰胆碱酯酶抑制剂隐丹参酮在细胞和动物模型中的神经保护作用研究。
6. Versatility of 7-Substituted Coumarin Molecules as Antimycobacterial Agents Neuronal Enzyme Inhibitors and Neuroprotective Agents [O] . Erika Kapp, Hanri Visser, Samantha L. Sampson, 2017

机译：7取代的香豆素分子作为抗分枝杆菌剂神经元酶抑制剂和神经保护剂的多功能性。
7. Versatility of 7-Substituted Coumarin Molecules as Antimycobacterial Agents, Neuronal Enzyme Inhibitors and Neuroprotective Agents [O] . Erika Kapp, Hanri Visser, Samantha L. Sampson, 2017

机译：7-取代香豆素分子作为抗真菌剂，神经元酶抑制剂和神经保护剂的多功能性
8. Acetylcholinesterase Inhibiting Activity of Organophosphate Nerve Agents inPrimary Cultures of Mouse Embryo Neurons [R] . Sawyer, T. W., Weiss, M. T. 1990

机译：乙酰胆碱酯酶抑制小鼠胚胎神经元原代培养物中有机磷酸盐神经毒剂的活性

Computational and In-Vitro Validation of Natural Molecules as Potential Acetylcholinesterase Inhibitors and Neuroprotective Agents

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