{"title":"DeepTree-AAPred: Binary tree-based deep learning model for anti-angiogenic peptides prediction","authors":"Fan Zhang, Jinfeng Li, Chun Fang","doi":"10.1016/j.jmgm.2025.108982","DOIUrl":null,"url":null,"abstract":"<div><div>Anti-angiogenic peptides (AAPs) show important potential in tumor therapy by limiting the growth and metastasis of tumor cells. Accurate prediction of AAPs is of very positive significance for the therapeutic efficacy of tumors. The high cost of wet experiments limits the application of large-scale screening. Existing computational methods, although able to solve the problem of wet experiments, still lack in performance. To this end, a deep learning-based anti-angiogenic peptide prediction model, DeepTree-AAPred, is proposed in this study. The model utilizes a binary tree structure and employs protein language pre-training models ProtBERT and ESM-2 to extract 1D and 2D generalized features. It further captures local features and contextual dependencies using BiLSTM and TextCNN, ultimately fusing the output features for AAPs prediction. Extensive experimental results on standard datasets show that DeepTree-AAPred outperforms existing computational methods, demonstrating its potential for practical application in AAPs tasks.</div></div>","PeriodicalId":16361,"journal":{"name":"Journal of molecular graphics & modelling","volume":"137 ","pages":"Article 108982"},"PeriodicalIF":2.7000,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of molecular graphics & modelling","FirstCategoryId":"99","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1093326325000427","RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
引用次数: 0
Abstract
Anti-angiogenic peptides (AAPs) show important potential in tumor therapy by limiting the growth and metastasis of tumor cells. Accurate prediction of AAPs is of very positive significance for the therapeutic efficacy of tumors. The high cost of wet experiments limits the application of large-scale screening. Existing computational methods, although able to solve the problem of wet experiments, still lack in performance. To this end, a deep learning-based anti-angiogenic peptide prediction model, DeepTree-AAPred, is proposed in this study. The model utilizes a binary tree structure and employs protein language pre-training models ProtBERT and ESM-2 to extract 1D and 2D generalized features. It further captures local features and contextual dependencies using BiLSTM and TextCNN, ultimately fusing the output features for AAPs prediction. Extensive experimental results on standard datasets show that DeepTree-AAPred outperforms existing computational methods, demonstrating its potential for practical application in AAPs tasks.
期刊介绍:
The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design. The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design.
As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files. Routine applications of existing methods that do not lead to genuinely new insight will not be considered.