基于转录组学揭示南海大鼠肽序列、结构和靶标的多样性

IF 4.9 2区 医学 Q1 CHEMISTRY, MEDICINAL
Marine Drugs Pub Date : 2024-10-12 DOI:10.3390/md22100470
Ziqiang Hua, Yanling Liao, Jinxing Fu, Xinru Li, Qianxia Xu, Limin Lin, Meiling Huang, Bingmiao Gao
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引用次数: 0

摘要

南海海葵资源丰富,海葵毒素中的蛋白质和多肽成分是研究人员寻找前沿化合物的重要宝库。本研究对海葵(Macrodactyla doreensis)的触手和柱体进行了全面的转录组分析,并利用生物信息学技术深入探讨了蛋白质和肽的分布和多样性,初步构建了一个假定蛋白质和肽数据库。在该数据库中,通过氨基酸序列分析确定了典型的多肽家族,并通过 AlphaFold2 建模和分子对接揭示了它们的三维结构和潜在的生物活性。共鉴定出4239个转录本,其中推定蛋白质占81.53%。其中含量最高的是免疫球蛋白和多种蛋白酶,主要分布在柱状体中,与生物功能相关。重要的是,推测肽占 18.47%,包含 ShK 结构域和 Kunitz 型肽,主要分布在触手中,与攻击性捕食行为有关。有趣的是,研究还发现了属于 8 个典型肽家族的 40 种推定肽,并预测了它们的结构和靶标。这项研究揭示了河豚毒素的多样性和复杂性,并根据氨基酸序列预测了它们的结构和靶标,为发现具有潜在高活性的多肽提供了一种可行的研究方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Revealing the Diversity of Sequences, Structures, and Targets of Peptides from South China Sea Macrodactyla doreensis Based on Transcriptomics.

The South China Sea is rich in sea anemone resources, and the protein and peptide components from sea anemone toxins comprise an important treasure trove for researchers to search for leading compounds. This study conducted a comprehensive transcriptomic analysis of the tentacles and column of Macrodactyla doreensis and explored the distribution and diversity of proteins and peptides in depth using bioinformatics, initially constructing a putative protein and peptide database. In this database, typical peptide families are identified through amino acid sequence analysis, and their 3D structures and potential biological activities are revealed through AlphaFold2 modeling and molecular docking. A total of 4239 transcripts were identified, of which the putative protein accounted for 81.53%. The highest content comprised immunoglobulin and a variety of proteases, mainly distributed in the column and related to biological functions. Importantly, the putative peptide accounted for 18.47%, containing ShK domain and Kunitz-type peptides, mainly distributed in the tentacles and related to offensive predatory behavior. Interestingly, 40 putative peptides belonging to eight typical peptide families were identified, and their structures and targets were predicted. This study reveals the diversity and complexity of Macrodactyla doreensis toxins and predicts their structure and targets based on amino acid sequences, providing a feasible approach for research regarding the discovery of peptides with potentially high activity.

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来源期刊
Marine Drugs
Marine Drugs 医学-医药化学
CiteScore
9.60
自引率
14.80%
发文量
671
审稿时长
1 months
期刊介绍: Marine Drugs (ISSN 1660-3397) publishes reviews, regular research papers and short notes on the research, development and production of drugs from the sea. Our aim is to encourage scientists to publish their experimental and theoretical research in as much detail as possible, particularly synthetic procedures and characterization information for bioactive compounds. There is no restriction on the length of the experimental section.
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