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来自海鞘先天免疫的生物活性分子与创新药物发现方法:基于人工智能的计算方法

Bioactive Molecules from the Innate Immunity of Ascidians and Innovative Methods of Drug Discovery: A Computational Approach Based on Artificial Intelligence.

作者信息

La Paglia Laura, Vazzana Mirella, Mauro Manuela, Urso Alfonso, Arizza Vincenzo, Vizzini Aiti

机构信息

Istituto di Calcolo e Reti ad Alte Prestazioni-Consiglio Nazionale delle Ricerche, Via Ugo La Malfa 153, 90146 Palermo, Italy.

Dipartimento di Scienze e Tecnologie Biologiche, Chimiche e Farmaceutiche-Università di Palermo, Via Archirafi 18, 90100 Palermo, Italy.

出版信息

Mar Drugs. 2023 Dec 20;22(1):6. doi: 10.3390/md22010006.

DOI:10.3390/md22010006
PMID:38276644
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10817596/
Abstract

The study of bioactive molecules of marine origin has created an important bridge between biological knowledge and its applications in biotechnology and biomedicine. Current studies in different research fields, such as biomedicine, aim to discover marine molecules characterized by biological activities that can be used to produce potential drugs for human use. In recent decades, increasing attention has been paid to a particular group of marine invertebrates, the Ascidians, as they are a source of bioactive products. We describe omics data and computational methods relevant to identifying the mechanisms and processes of innate immunity underlying the biosynthesis of bioactive molecules, focusing on innovative computational approaches based on Artificial Intelligence. Since there is increasing attention on finding new solutions for a sustainable supply of bioactive compounds, we propose that a possible improvement in the biodiscovery pipeline might also come from the study and utilization of marine invertebrates' innate immunity.

摘要

对海洋来源生物活性分子的研究在生物学知识及其在生物技术和生物医学中的应用之间架起了一座重要的桥梁。当前在生物医学等不同研究领域的研究旨在发现具有生物活性的海洋分子,这些分子可用于生产供人类使用的潜在药物。近几十年来,人们越来越关注一类特殊的海洋无脊椎动物——海鞘,因为它们是生物活性产物的来源。我们描述了与识别生物活性分子生物合成背后的先天免疫机制和过程相关的组学数据和计算方法,重点关注基于人工智能的创新计算方法。由于人们越来越关注寻找生物活性化合物可持续供应的新解决方案,我们提出生物发现流程的一个可能改进也可能来自对海洋无脊椎动物先天免疫的研究和利用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/00ba076addda/marinedrugs-22-00006-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/f4246c90f0c3/marinedrugs-22-00006-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/3ccd20d5e605/marinedrugs-22-00006-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/8ad8fbfa7685/marinedrugs-22-00006-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/56106289adcc/marinedrugs-22-00006-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/00ba076addda/marinedrugs-22-00006-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/f4246c90f0c3/marinedrugs-22-00006-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/3ccd20d5e605/marinedrugs-22-00006-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/8ad8fbfa7685/marinedrugs-22-00006-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/56106289adcc/marinedrugs-22-00006-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d56/10817596/00ba076addda/marinedrugs-22-00006-g005.jpg

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本文引用的文献

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Front Immunol. 2023 Aug 2;14:1217077. doi: 10.3389/fimmu.2023.1217077. eCollection 2023.
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Prediction of protein structures, functions and interactions using the IntFOLD7, MultiFOLD and ModFOLDdock servers.使用 IntFOLD7、MultiFOLD 和 ModFOLDdock 服务器预测蛋白质结构、功能和相互作用。
Nucleic Acids Res. 2023 Jul 5;51(W1):W274-W280. doi: 10.1093/nar/gkad297.
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Proteomics and Molecular Docking Analyses Reveal the Bio-Chemical and Molecular Mechanism Underlying the Hypolipidemic Activity of Nano-Liposomal Bioactive Peptides in 3T3-L1 Adipocytes.
蛋白质组学和分子对接分析揭示了纳米脂质体生物活性肽在3T3-L1脂肪细胞中降血脂活性的生化和分子机制。
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Botryllin, a Novel Antimicrobial Peptide from the Colonial Ascidian .短梗霉肽,一种来自群体海鞘的新型抗菌肽。
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Natural Products/Bioactive Compounds as a Source of Anticancer Drugs.天然产物/生物活性化合物作为抗癌药物的来源。
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