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ProG-SOL:利用蛋白质嵌入和双图卷积网络预测蛋白质溶解度

ProG-SOL: Predicting Protein Solubility Using Protein Embeddings and Dual-Graph Convolutional Networks.

作者信息

Li Gen, Zhang Ning, Fan Long

机构信息

Production and R&D Center I of LSS, GenScript (Shanghai) Biotech Co., Ltd., Shanghai 200131, China.

Production and R&D Center I of LSS, GenScript Biotech Corporation, Nanjing 211122, China.

出版信息

ACS Omega. 2025 Jan 24;10(4):3910-3916. doi: 10.1021/acsomega.4c09688. eCollection 2025 Feb 4.

DOI:10.1021/acsomega.4c09688
PMID:39926503
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11800053/
Abstract

Solubility is a key biophysical property of proteins and is essential for evaluating the effectiveness of proteins in biochemical engineering. In recent years, the prediction method of protein solubility has received extensive attention in the protein engineering research community. Many methods have been developed to predict protein solubility, but the generalization performance of existing prediction methods on independent test sets must be improved. In addition, solubility prediction methods do not work well when they are used for regression tasks. To address these issues, we developed a new method, ProG-SOL, an innovative sequence-based dual-graph convolutional network that simultaneously exploits the protein pretrained graph and the protein evolutionary graph for assessing solubility. Compared with other methods, ProG-SOL achieves better classification and regression results for different independent test sets at the same time. The model framework of our method may also be used to predict other properties of proteins such as protein function, protein-protein interaction, protein folding, and drug design, which provide broad application prospects in protein engineering.

摘要

溶解度是蛋白质的一项关键生物物理特性,对于评估蛋白质在生化工程中的有效性至关重要。近年来,蛋白质溶解度预测方法在蛋白质工程研究领域受到广泛关注。人们已开发出多种预测蛋白质溶解度的方法,但现有预测方法在独立测试集上的泛化性能仍有待提高。此外,溶解度预测方法在用于回归任务时效果不佳。为解决这些问题,我们开发了一种新方法ProG-SOL,这是一种创新的基于序列的双图卷积网络,它同时利用蛋白质预训练图和蛋白质进化图来评估溶解度。与其他方法相比,ProG-SOL在不同独立测试集上同时取得了更好的分类和回归结果。我们方法的模型框架还可用于预测蛋白质的其他特性,如蛋白质功能、蛋白质-蛋白质相互作用、蛋白质折叠和药物设计,这在蛋白质工程中具有广阔的应用前景。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/337f/11800053/4cac5c5bfbde/ao4c09688_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/337f/11800053/b57b47de22a5/ao4c09688_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/337f/11800053/1ee5d57983a2/ao4c09688_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/337f/11800053/4cac5c5bfbde/ao4c09688_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/337f/11800053/b57b47de22a5/ao4c09688_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/337f/11800053/1ee5d57983a2/ao4c09688_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/337f/11800053/4cac5c5bfbde/ao4c09688_0003.jpg

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本文引用的文献

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EnzyACT: A Novel Deep Learning Method to Predict the Impacts of Single and Multiple Mutations on Enzyme Activity.EnzyACT:一种预测单突变和多突变对酶活性影响的新型深度学习方法。
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ProSTAGE: Predicting Effects of Mutations on Protein Stability by Using Protein Embeddings and Graph Convolutional Networks.ProSTAGE:利用蛋白质嵌入和图卷积网络预测突变对蛋白质稳定性的影响。
J Chem Inf Model. 2024 Jan 22;64(2):340-347. doi: 10.1021/acs.jcim.3c01697. Epub 2024 Jan 2.
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HybridGCN for protein solubility prediction with adaptive weighting of multiple features.
用于蛋白质溶解度预测的混合图卷积网络,具有多特征自适应加权
J Cheminform. 2023 Dec 8;15(1):118. doi: 10.1186/s13321-023-00788-8.
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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.
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Prediction of protein solubility based on sequence physicochemical patterns and distributed representation information with DeepSoluE.基于序列物理化学模式和分布式表示信息的 DeepSoluE 预测蛋白质溶解度。
BMC Biol. 2023 Jan 24;21(1):12. doi: 10.1186/s12915-023-01510-8.
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SPOT-Contact-LM: improving single-sequence-based prediction of protein contact map using a transformer language model.SPOT-Contact-LM:使用 Transformer 语言模型改进基于单序列的蛋白质接触图预测。
Bioinformatics. 2022 Mar 28;38(7):1888-1894. doi: 10.1093/bioinformatics/btac053.
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IEEE Trans Pattern Anal Mach Intell. 2022 Oct;44(10):7112-7127. doi: 10.1109/TPAMI.2021.3095381. Epub 2022 Sep 14.
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