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一个关于多功能特性和结构信息的治疗性肽的综合数据集。

A comprehensive dataset of therapeutic peptides on multi-function property and structure information.

作者信息

Xiao Baichuan, Zhou Yixiang, Zhao Long, Huang Haodong, Fei Xuwen, Zhang Yong-Biao

机构信息

School of Engineering Medicine, Beihang University, Beijing, 100191, China.

School of Materials and Chemical Engineering, Beijing Institute of Petrochemical Technology, Beijing, 102627, China.

出版信息

Sci Data. 2025 Jul 14;12(1):1213. doi: 10.1038/s41597-025-05528-1.

DOI:10.1038/s41597-025-05528-1
PMID:40659670
Abstract

This paper presents a comprehensive dataset comprising 58,583 experimentally validated therapeutic peptides with annotated structure information. These peptides are grouped into 47 categories based on their function or therapeutic property like antimicrobial or glucose-regulatory, of which 21,130 are multi-function peptides and 54,722 possess structural annotation information. We believe this dataset can be useful for the relevant research of therapeutic peptides, especially for computational tool developments in therapeutic peptide discovery and further exploration of the 'sequence-structure-function' relationship for therapeutic peptides.

摘要

本文展示了一个包含58583种经实验验证的治疗性肽的综合数据集,这些肽带有注释的结构信息。这些肽根据其功能或治疗特性(如抗菌或调节血糖)被分为47类,其中21130种是多功能肽,54722种具有结构注释信息。我们相信这个数据集对于治疗性肽的相关研究可能是有用的,特别是对于治疗性肽发现中的计算工具开发以及对治疗性肽“序列-结构-功能”关系的进一步探索。

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本文引用的文献

1
UniProt: the Universal Protein Knowledgebase in 2025.通用蛋白质知识库(UniProt):2025年的情况
Nucleic Acids Res. 2025 Jan 6;53(D1):D609-D617. doi: 10.1093/nar/gkae1010.
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DRAMP 4.0: an open-access data repository dedicated to the clinical translation of antimicrobial peptides.DRAMP 4.0:一个致力于抗菌肽临床转化的开放获取数据资源库。
Nucleic Acids Res. 2025 Jan 6;53(D1):D403-D410. doi: 10.1093/nar/gkae1046.
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Deep mutational scanning and machine learning for the analysis of antimicrobial-peptide features driving membrane selectivity.利用深度突变扫描和机器学习分析驱动膜选择性的抗菌肽特征。
Nat Biomed Eng. 2024 Jul;8(7):842-853. doi: 10.1038/s41551-024-01243-1. Epub 2024 Jul 31.
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RCSB protein Data Bank: exploring protein 3D similarities via comprehensive structural alignments.RCSB 蛋白质数据库:通过全面的结构比对探索蛋白质 3D 相似性。
Bioinformatics. 2024 Jun 3;40(6). doi: 10.1093/bioinformatics/btae370.
6
THPdb2: compilation of FDA approved therapeutic peptides and proteins.THPdb2:美国食品和药物管理局批准的治疗性肽和蛋白质数据库。
Drug Discov Today. 2024 Jul;29(7):104047. doi: 10.1016/j.drudis.2024.104047. Epub 2024 Jun 1.
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The role and future prospects of artificial intelligence algorithms in peptide drug development.人工智能算法在肽类药物研发中的作用和未来前景。
Biomed Pharmacother. 2024 Jun;175:116709. doi: 10.1016/j.biopha.2024.116709. Epub 2024 May 6.
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DRAVP: A Comprehensive Database of Antiviral Peptides and Proteins.DRAPV:抗病毒肽和蛋白质的综合数据库。
Viruses. 2023 Mar 23;15(4):820. doi: 10.3390/v15040820.
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Sequence-structure-function relationships in the microbial protein universe.微生物蛋白质宇宙中的序列-结构-功能关系。
Nat Commun. 2023 Apr 26;14(1):2351. doi: 10.1038/s41467-023-37896-w.
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Evolutionary-scale prediction of atomic-level protein structure with a language model.用语言模型进行原子级蛋白质结构的进化尺度预测。
Science. 2023 Mar 17;379(6637):1123-1130. doi: 10.1126/science.ade2574. Epub 2023 Mar 16.