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Leishmaniinae: Evolutionary inferences based on protein expression profiles (PhyloQuant) congruent with phylogenetic relationships among Leishmania, Endotrypanum, Porcisia, Zelonia, Crithidia, and Leptomonas 利什曼病科基于蛋白质表达谱(PhyloQuant)的进化推论与利什曼原虫、Endotrypanum、Porcisia、Zelonia、Crithidia 和 Leptomonas 之间的系统发育关系一致。
IF 3.4 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-06-08 DOI: 10.1002/pmic.202100313
Simon Ngao Mule, Evaristo Villalba Alemán, Livia Rosa-Fernandes, Joyce S. Saad, Gilberto Santos de Oliveira, Deivid Martins, Claudia Blanes Angeli, Deborah Brandt-Almeida, Mauro Cortez, Martin Røssel Larsen, Jeffrey J. Shaw, Marta M. G. Teixeira, Giuseppe Palmisano

Evolutionary relationships among parasites of the subfamily Leishmaniinae, which comprises pathogen agents of leishmaniasis, were inferred based on differential protein expression profiles from mass spectrometry-based quantitative data using the PhyloQuant method. Evolutionary distances following identification and quantification of protein and peptide abundances using Proteome Discoverer and MaxQuant software were estimated for 11 species from six Leishmaniinae genera. Results clustered all dixenous species of the genus Leishmania, subgenera L. (Leishmania), L. (Viannia), and L. (Mundinia), sister to the dixenous species of genera Endotrypanum and Porcisia. Placed basal to the assemblage formed by all these parasites were the species of genera Zelonia, Crithidia, and Leptomonas, so far described as monoxenous of insects although eventually reported from humans. Inferences based on protein expression profiles were congruent with currently established phylogeny using DNA sequences. Our results reinforce PhyloQuant as a valuable approach to infer evolutionary relationships within Leishmaniinae, which is comprised of very tightly related trypanosomatids that are just beginning to be phylogenetically unraveled. In addition to evolutionary history, mapping of species-specific protein expression is paramount to understand differences in infection processes, tissue tropisms, potential to jump from insects to vertebrates including humans, and targets for species-specific diagnostic and drug development.

利用 PhyloQuant 方法,根据基于质谱定量数据的不同蛋白质表达谱推断了利什曼病病原体利什曼伊科亚科寄生虫之间的进化关系。利用蛋白质组发现者(Proteome Discoverer)和 MaxQuant 软件对蛋白质和肽丰度进行鉴定和定量后,估计了利什曼病科 6 个属 11 个物种的进化距离。结果显示,利什曼尼亚属、L. (Leishmania)亚属、L. (Viannia)亚属和 L. (Mundinia)亚属的所有双链种都与 Endotrypanum 属和 Porcisia 属的双链种是姊妹种。Zelonia 属、Crithidia 属和 Leptomonas 属是由所有这些寄生虫组成的寄生虫群的基干。基于蛋白质表达谱的推断与目前利用 DNA 序列建立的系统发育一致。我们的研究结果证明 PhyloQuant 是推断利什曼病科内部进化关系的一种重要方法,利什曼病科由密切相关的锥虫类组成,其系统发育关系才刚刚开始。除了进化史之外,绘制物种特异性蛋白质表达图对于了解感染过程、组织滋养、从昆虫到脊椎动物(包括人类)的潜能以及物种特异性诊断和药物开发目标的差异也至关重要。
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引用次数: 0
An efficient hybrid deep learning architecture for predicting short antimicrobial peptides 预测短抗菌肽的高效混合深度学习架构。
IF 3.4 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-06-04 DOI: 10.1002/pmic.202300382
Quang H. Nguyen, Thanh-Hoang Nguyen-Vo, Trang T. T. Do, Binh P. Nguyen

Short-length antimicrobial peptides (AMPs) have been demonstrated to have intensified antimicrobial activities against a wide spectrum of microbes. Therefore, exploration of novel and promising short AMPs is highly essential in developing various types of antimicrobial drugs or treatments. In addition to experimental approaches, computational methods have been developed to improve screening efficiency. Although existing computational methods have achieved satisfactory performance, there is still much room for model improvement. In this study, we proposed iAMP-DL, an efficient hybrid deep learning architecture, for predicting short AMPs. The model was constructed using two well-known deep learning architectures: the long short-term memory architecture and convolutional neural networks. To fairly assess the performance of the model, we compared our model with existing state-of-the-art methods using the same independent test set. Our comparative analysis shows that iAMP-DL outperformed other methods. Furthermore, to assess the robustness and stability of our model, the experiments were repeated 10 times to observe the variation in prediction efficiency. The results demonstrate that iAMP-DL is an effective, robust, and stable framework for detecting promising short AMPs. Another comparative study of different negative data sampling methods also confirms the effectiveness of our method and demonstrates that it can also be used to develop a robust model for predicting AMPs in general. The proposed framework was also deployed as an online web server with a user-friendly interface to support the research community in identifying short AMPs.

短抗菌肽(AMPs)已被证明对多种微生物具有更强的抗菌活性。因此,在开发各类抗菌药物或治疗方法的过程中,探索新型和有前景的短 AMPs 至关重要。除了实验方法外,人们还开发了计算方法来提高筛选效率。虽然现有的计算方法已经取得了令人满意的效果,但模型仍有很大的改进空间。在本研究中,我们提出了一种高效的混合深度学习架构 iAMP-DL,用于预测短 AMPs。该模型采用了两种著名的深度学习架构:长短期记忆架构和卷积神经网络。为了公平地评估该模型的性能,我们使用相同的独立测试集将我们的模型与现有的最先进方法进行了比较。对比分析表明,iAMP-DL 的性能优于其他方法。此外,为了评估模型的鲁棒性和稳定性,我们重复了 10 次实验,以观察预测效率的变化。结果表明,iAMP-DL 是一种有效、稳健和稳定的框架,可用于检测有前景的短 AMP。另一项对不同负数据采样方法的比较研究也证实了我们方法的有效性,并证明它也可用于开发预测一般 AMP 的稳健模型。我们还将提议的框架部署为一个在线网络服务器,其用户界面非常友好,可为研究界识别短 AMP 提供支持。
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引用次数: 0
Extracellular vesicle proteins as breast cancer biomarkers: Mass spectrometry-based analysis 作为乳腺癌生物标记物的细胞外囊泡蛋白:基于质谱的分析
IF 3.4 4区 生物学 Q1 Biochemistry, Genetics and Molecular Biology Pub Date : 2024-06-03 DOI: 10.1002/pmic.202300062
Raju Bandu, Jae Won Oh, Kwang Pyo Kim

Extracellular vesicles (EVs) are membrane-surrounded vesicles released by various cell types into the extracellular microenvironment. Although EVs vary in size, biological function, and components, their importance in cancer progression and the potential use of EV molecular species to serve as novel cancer biomarkers have become increasingly evident. Cancer cells actively release EVs into surrounding tissues, which play vital roles in cancer progression and metastasis, including invasion and immune modulation. EVs released by cancer cells are usually chosen as a gateway in the search for biomarkers for cancer. In this review, we mainly focused on molecular profiling of EV protein constituents from breast cancer, emphasizing mass spectrometry (MS)-based proteomic approaches. To further investigate the potential use of EVs as a source of breast cancer biomarkers, we have discussed the use of these proteins as predictive marker candidates. Besides, we have also summarized the key characteristics of EVs as potential therapeutic targets in breast cancer and provided significant information on their implications in breast cancer development and progression. Information provided in this review may help understand the recent progress in understanding EV biology and their potential role as new noninvasive biomarkers as well as emerging therapeutic opportunities and associated challenges.

细胞外囊泡(EVs)是由各种类型细胞释放到细胞外微环境中的膜包围囊泡。尽管EVs的大小、生物功能和成分各不相同,但它们在癌症进展中的重要性以及EV分子物种作为新型癌症生物标记物的潜在用途已变得越来越明显。癌细胞会主动向周围组织释放 EVs,这些 EVs 在癌症进展和转移过程中发挥着重要作用,包括侵袭和免疫调节。癌细胞释放的 EV 通常被选为寻找癌症生物标志物的入口。在这篇综述中,我们主要关注乳腺癌 EV 蛋白成分的分子谱分析,强调基于质谱(MS)的蛋白质组学方法。为了进一步研究 EVs 作为乳腺癌生物标志物来源的潜在用途,我们讨论了将这些蛋白质作为候选预测标志物的用途。此外,我们还总结了作为乳腺癌潜在治疗靶点的 EVs 的主要特征,并提供了它们在乳腺癌发展和恶化过程中的重要影响。本综述所提供的信息可能有助于人们了解 EV 生物学的最新进展及其作为新的非侵入性生物标记物的潜在作用,以及新出现的治疗机会和相关挑战。
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引用次数: 0
Editorial Board: Proteomics 11'24 编辑委员会:蛋白质组学 11'24
IF 3.4 4区 生物学 Q1 Biochemistry, Genetics and Molecular Biology Pub Date : 2024-06-03 DOI: 10.1002/pmic.202470082
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引用次数: 0
Contents: Proteomics 11'24 内容蛋白质组学 11'24
IF 3.4 4区 生物学 Q1 Biochemistry, Genetics and Molecular Biology Pub Date : 2024-06-03 DOI: 10.1002/pmic.202470083
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引用次数: 0
A complementary metaproteomic approach to interrogate microbiome cultivated from clinical colon biopsies. 一种互补的元蛋白组方法,用于研究从临床结肠活检中培养的微生物组。
IF 3.4 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-06-02 DOI: 10.1002/pmic.202400078
Van-An Duong, Altai Enkhbayar, Nobel Bhasin, Lakmini Senavirathna, Eva C Preisner, Kristi L Hoffman, Richa Shukla, Robert R Jenq, Kai Cheng, Mary P Bronner, Daniel Figeys, Robert A Britton, Sheng Pan, Ru Chen

The human gut microbiome plays a vital role in preserving individual health and is intricately involved in essential functions. Imbalances or dysbiosis within the microbiome can significantly impact human health and are associated with many diseases. Several metaproteomics platforms are currently available to study microbial proteins within complex microbial communities. In this study, we attempted to develop an integrated pipeline to provide deeper insights into both the taxonomic and functional aspects of the cultivated human gut microbiomes derived from clinical colon biopsies. We combined a rapid peptide search by MSFragger against the Unified Human Gastrointestinal Protein database and the taxonomic and functional analyses with Unipept Desktop and MetaLab-MAG. Across seven samples, we identified and matched nearly 36,000 unique peptides to approximately 300 species and 11 phyla. Unipept Desktop provided gene ontology, InterPro entries, and enzyme commission number annotations, facilitating the identification of relevant metabolic pathways. MetaLab-MAG contributed functional annotations through Clusters of Orthologous Genes and Non-supervised Orthologous Groups categories. These results unveiled functional similarities and differences among the samples. This integrated pipeline holds the potential to provide deeper insights into the taxonomy and functions of the human gut microbiome for interrogating the intricate connections between microbiome balance and diseases.

人类肠道微生物组在维护个人健康方面发挥着至关重要的作用,并与基本功能密切相关。微生物群的失衡或菌群失调会严重影响人体健康,并与许多疾病相关。目前有几种元蛋白质组学平台可用于研究复杂微生物群落中的微生物蛋白质。在本研究中,我们尝试开发一种集成管道,以便更深入地了解从临床结肠活检中提取的培养人类肠道微生物组的分类和功能方面。我们将 MSFragger 对统一人类胃肠道蛋白质数据库的快速多肽搜索与 Unipept Desktop 和 MetaLab-MAG 的分类和功能分析相结合。在七个样本中,我们鉴定并匹配了近 36,000 个独特肽段,涉及约 300 个物种和 11 个门类。Unipept Desktop提供了基因本体、InterPro条目和酶委员会编号注释,有助于鉴定相关的代谢途径。MetaLab-MAG 通过同源基因群和非监督同源群类别提供功能注释。这些结果揭示了样本之间的功能异同。这一集成管道有可能为深入了解人类肠道微生物组的分类和功能提供帮助,从而探究微生物组平衡与疾病之间错综复杂的联系。
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引用次数: 0
Identification of RNA‐dependent liquid‐liquid phase separation proteins using an artificial intelligence strategy. 利用人工智能策略识别依赖于 RNA 的液-液相分离蛋白质。
IF 3.4 4区 生物学 Q1 Biochemistry, Genetics and Molecular Biology Pub Date : 2024-06-02 DOI: 10.1002/pmic.202400044
Zahoor Ahmed, Kiran Shahzadi, Yanting Jin, Rui Li, Biffon Manyura Momanyi, Hasan Zulfiqar, Lin Ning, Hao Lin

RNA-dependent liquid-liquid phase separation (LLPS) proteins play critical roles in cellular processes such as stress granule formation, DNA repair, RNA metabolism, germ cell development, and protein translation regulation. The abnormal behavior of these proteins is associated with various diseases, particularly neurodegenerative disorders like amyotrophic lateral sclerosis and frontotemporal dementia, making their identification crucial. However, conventional biochemistry-based methods for identifying these proteins are time-consuming and costly. Addressing this challenge, our study developed a robust computational model for their identification. We constructed a comprehensive dataset containing 137 RNA-dependent and 606 non-RNA-dependent LLPS protein sequences, which were then encoded using amino acid composition, composition of K-spaced amino acid pairs, Geary autocorrelation, and conjoined triad methods. Through a combination of correlation analysis, mutual information scoring, and incremental feature selection, we identified an optimal feature subset. This subset was used to train a random forest model, which achieved an accuracy of 90% when tested against an independent dataset. This study demonstrates the potential of computational methods as efficient alternatives for the identification of RNA-dependent LLPS proteins. To enhance the accessibility of the model, a user-centric web server has been established and can be accessed via the link: http://rpp.lin-group.cn.

RNA 依赖性液-液相分离(LLPS)蛋白在细胞过程中发挥着关键作用,如应激颗粒形成、DNA 修复、RNA 代谢、生殖细胞发育和蛋白质翻译调控。这些蛋白质的异常行为与多种疾病有关,尤其是神经退行性疾病,如肌萎缩性脊髓侧索硬化症和额颞叶痴呆症,因此对它们的鉴定至关重要。然而,基于生物化学的传统方法鉴定这些蛋白质既耗时又昂贵。为了应对这一挑战,我们的研究开发了一个强大的计算模型来识别它们。我们构建了一个包含 137 个 RNA 依赖性和 606 个非 RNA 依赖性 LLPS 蛋白序列的综合数据集,然后使用氨基酸组成、K 距氨基酸对组成、Geary 自相关和三元连体方法对这些序列进行编码。通过结合相关性分析、互信息评分和增量特征选择,我们确定了一个最佳特征子集。该子集用于训练随机森林模型,该模型在独立数据集的测试中达到了 90% 的准确率。这项研究证明了计算方法作为鉴定 RNA 依赖性 LLPS 蛋白的有效替代方法的潜力。为了提高模型的可访问性,我们建立了一个以用户为中心的网络服务器,可通过以下链接访问:http://rpp.lin-group.cn。
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引用次数: 0
Proteomics is advancing the understanding of stallion sperm biology 蛋白质组学加深了人们对种公马精子生物学的了解。
IF 3.4 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-05-29 DOI: 10.1002/pmic.202300522
Fernando J. Peña, Francisco Eduardo Martín-Cano, Laura Becerro-Rey, Cristina Ortega-Ferrusola, Gemma Gaitskell-Phillips, Eva da Silva-Álvarez, María Cruz Gil

The mammalian ejaculate is very well suited to proteomics studies. As such, research concerning sperm proteomics is offering a huge amount of new information on the biology of spermatozoa. Among domestic animals, horses represent a species of special interest, in which reproductive technologies and a sizeable market of genetic material have grown exponentially in the last decade. Studies using proteomic approaches have been conducted in recent years, showing that proteomics is a potent tool to dig into the biology of the stallion spermatozoa. The aim of this review is to present an overview of the research conducted, and how these studies have improved our knowledge of stallion sperm biology. The main outcomes of the research conducted so far have been an improved knowledge of metabolism, and its importance in sperm functions, the impact of different technologies on the sperm proteome, and the identification of potential biomarkers. Moreover, proteomics of seminal plasma and phosphoproteomics are identified as areas of major interest.

哺乳动物的射精非常适合蛋白质组学研究。因此,精子蛋白质组学研究为精子生物学提供了大量新信息。在家养动物中,马是一个特别值得关注的物种,在过去的十年中,马的繁殖技术和遗传物质的巨大市场呈指数级增长。近年来利用蛋白质组学方法进行的研究表明,蛋白质组学是研究种马精子生物学的有效工具。本综述旨在概述已开展的研究,以及这些研究如何增进了我们对种公马精子生物学的了解。迄今为止,研究的主要成果是提高了对新陈代谢及其在精子功能中重要性的认识、不同技术对精子蛋白质组的影响以及潜在生物标志物的鉴定。此外,精浆蛋白质组学和磷酸蛋白质组学也被确定为主要研究领域。
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引用次数: 0
Metaproteomic analysis of King Ghezo tomb wall (Abomey, Benin) confirms 19th century voodoo sacrifices 对 Ghezo 国王墓壁(贝宁阿波美)进行的元蛋白质组分析证实了 19 世纪的巫毒祭祀。
IF 3.4 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-05-29 DOI: 10.1002/pmic.202400048
Philippe Charlier, Virginie Bourdin, Didier N'Dah, Mélodie Kielbasa, Olivier Pible, Jean Armengaud

The palace of King Ghezo in Abomey, capital of the ancient kingdom of Dahomey (present-day Benin), houses two sacred huts which are specific funerary structures. It is claimed that the binder in their walls is made of human blood. In the study presented here, we conceived an original strategy to analyze the proteins present on minute amounts of the cladding sampled from the inner facade of the cenotaph wall and establish their origin. The extracted proteins were proteolyzed and the resulting peptides were characterized by high-resolution tandem mass spectrometry. Over 6397 distinct molecular entities were identified using cascading searches. Starting from without a priori searches of an extended generic database, the peptide repertoire was narrowed down to the most representative organisms—identified by means of taxon-specific peptides. A wide diversity of bacteria, fungi, plants, and animals were detected through the available protein material. This inventory was used to archaeologically reconstruct the voodoo rituals of consecration and maintenance of vitality. Several indicators attested to the presence of traces of human and poultry blood in the material taken. This study shows the essential advantages of paleoproteomics and metaproteomics for the study of ancient residues from archaeological excavations or historical monuments.

在古代达荷美王国(今贝宁)首都阿波美的盖佐国王宫殿里,有两座神圣的小屋,它们是特殊的殡葬建筑。据说,它们墙壁上的粘合剂是用人血制成的。在本文介绍的研究中,我们采用了一种新颖的策略,对从墓室墙壁内侧取样的微量包层上的蛋白质进行分析,并确定其来源。我们对提取的蛋白质进行了蛋白水解,并通过高分辨率串联质谱对由此产生的肽段进行了表征。通过级联搜索,确定了超过 6397 个不同的分子实体。在没有先验搜索扩展通用数据库的情况下,肽的范围被缩小到最具代表性的生物体--通过分类群特异性肽来识别。通过现有的蛋白质材料,发现了细菌、真菌、植物和动物的广泛多样性。这份清单被用于考古重建伏都教的祭祀和维持生命的仪式。一些指标证明,所采集的材料中存在人类和家禽血液的痕迹。这项研究显示了古蛋白质组学和元蛋白质组学在研究考古发掘或历史遗迹中的古代残留物方面的重要优势。
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引用次数: 0
Prediction of peptide hormones using an ensemble of machine learning and similarity-based methods 利用机器学习和基于相似性的方法组合预测肽类激素。
IF 3.4 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-05-27 DOI: 10.1002/pmic.202400004
Dashleen Kaur, Akanksha Arora, Palani Vigneshwar, Gajendra P. S. Raghava

Peptide hormones serve as genome-encoded signal transduction molecules that play essential roles in multicellular organisms, and their dysregulation can lead to various health problems. In this study, we propose a method for predicting hormonal peptides with high accuracy. The dataset used for training, testing, and evaluating our models consisted of 1174 hormonal and 1174 non-hormonal peptide sequences. Initially, we developed similarity-based methods utilizing BLAST and MERCI software. Although these similarity-based methods provided a high probability of correct prediction, they had limitations, such as no hits or prediction of limited sequences. To overcome these limitations, we further developed machine and deep learning-based models. Our logistic regression-based model achieved a maximum AUROC of 0.93 with an accuracy of 86% on an independent/validation dataset. To harness the power of similarity-based and machine learning-based models, we developed an ensemble method that achieved an AUROC of 0.96 with an accuracy of 89.79% and a Matthews correlation coefficient (MCC) of 0.8 on the validation set. To facilitate researchers in predicting and designing hormone peptides, we developed a web-based server called HOPPred. This server offers a unique feature that allows the identification of hormone-associated motifs within hormone peptides. The server can be accessed at: https://webs.iiitd.edu.in/raghava/hoppred/.

肽类激素是基因组编码的信号转导分子,在多细胞生物体中发挥着重要作用,它们的失调会导致各种健康问题。在本研究中,我们提出了一种高精度预测激素肽的方法。用于训练、测试和评估模型的数据集包括 1174 个激素肽序列和 1174 个非激素肽序列。最初,我们利用 BLAST 和 MERCI 软件开发了基于相似性的方法。虽然这些基于相似性的方法提供了较高的正确预测概率,但它们也有局限性,如没有命中或预测的序列有限。为了克服这些局限性,我们进一步开发了基于机器学习和深度学习的模型。在一个独立/验证数据集上,我们基于逻辑回归的模型达到了最大 AUROC 0.93,准确率为 86%。为了利用基于相似性和机器学习的模型的力量,我们开发了一种集合方法,该方法在验证集上的AUROC达到0.96,准确率为89.79%,马修斯相关系数(MCC)为0.8。为了方便研究人员预测和设计激素肽,我们开发了一个名为 HOPPred 的网络服务器。该服务器具有一个独特的功能,可以识别激素肽中的激素相关基团。访问该服务器的网址是:https://webs.iiitd.edu.in/raghava/hoppred/.
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引用次数: 0
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