PMID- 34555693 OWN - NLM STAT- MEDLINE DCOM- 20211105 LR - 20211105 IS - 1872-9142 (Electronic) IS - 0161-5890 (Linking) VI - 139 DP - 2021 Nov TI - A simple pan-specific RNN model for predicting HLA-II binding peptides. PG - 177-183 LID - S0161-5890(21)00272-8 [pii] LID - 10.1016/j.molimm.2021.09.004 [doi] AB - The prediction of human leukocyte antigen (HLA) class II binding peptides plays important roles in understanding the mechanism of immune recognition and developing effective epitope-based vaccines. In this work, gated recurrent unit (GRU)-based recurrent neural network (RNN) was successfully employed to establish a pan-specific prediction model of HLA-II-binding peptides by using only the HLA and peptide sequence information. In comparison with the existing pan-specific models of HLA-II-binding peptides, the GRU-based RNN model covered a broad spectrum of HLA-II molecules including 50 HLA-DR, 47 HLA-DQ, and 19 HLA-DP molecules with peptide lengths varying from 8 to 43 mers. The results demonstrated strong discriminant capabilities of the GRU-based RNN model, of which the AUC values were 0.92, 0.88, and 0.88 for the training, validation, and test sets, respectively. Also, the GRU-based model showed state-of-the-art performances in predicting the binding peptides with the length ranging from 8-32 mers, which provides an efficient method for predicting HLA-II-binding peptides of longer lengths in comparison with the available methods. Overall, taking the advantages of the RNN architecture, the established pan-specific GRU model can be used for predicting accurately the HLA-II-binding peptides in a simple and direct manner. CI - Copyright (c) 2021. Published by Elsevier Ltd. FAU - Heng, Yu AU - Heng Y AD - Key Laboratory of Biorheological Science and Technology (Ministry of Education), Chongqing University, Chongqing, 400044, China; College of Bioengineering, Chongqing University, Chongqing, 400044, China. FAU - Kuang, Zuyin AU - Kuang Z AD - Key Laboratory of Biorheological Science and Technology (Ministry of Education), Chongqing University, Chongqing, 400044, China. FAU - Xie, Wenzhao AU - Xie W AD - College of Bioengineering, Chongqing University, Chongqing, 400044, China. FAU - Lan, Haoqi AU - Lan H AD - College of Bioengineering, Chongqing University, Chongqing, 400044, China. FAU - Huang, Shuheng AU - Huang S AD - College of Bioengineering, Chongqing University, Chongqing, 400044, China. FAU - Chen, Linxin AU - Chen L AD - College of Bioengineering, Chongqing University, Chongqing, 400044, China. FAU - Shi, Tingting AU - Shi T AD - College of Bioengineering, Chongqing University, Chongqing, 400044, China. FAU - Xu, Lei AU - Xu L AD - College of Bioengineering, Chongqing University, Chongqing, 400044, China. FAU - Pan, Xianchao AU - Pan X AD - Department of Medicinal Chemistry, College of Pharmacy, Southwest Medical University, Luzhou, Sichuan, 646000, China. Electronic address: panxc@swmu.edu.cn. FAU - Mei, Hu AU - Mei H AD - Key Laboratory of Biorheological Science and Technology (Ministry of Education), Chongqing University, Chongqing, 400044, China; College of Bioengineering, Chongqing University, Chongqing, 400044, China. Electronic address: meihu@cqu.edu.cn. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20210920 PL - England TA - Mol Immunol JT - Molecular immunology JID - 7905289 RN - 0 (Histocompatibility Antigens Class II) SB - IM MH - Antigen Presentation/immunology MH - Histocompatibility Antigens Class II/chemistry/*immunology/metabolism MH - Humans MH - *Neural Networks, Computer MH - Protein Binding OTO - NOTNLM OT - Gated recurrent unit OT - Human leukocyte antigen OT - Peptide OT - Prediction OT - Recurrent neural network EDAT- 2021/09/24 06:00 MHDA- 2021/11/06 06:00 CRDT- 2021/09/23 20:24 PHST- 2020/11/27 00:00 [received] PHST- 2021/08/17 00:00 [revised] PHST- 2021/09/02 00:00 [accepted] PHST- 2021/09/24 06:00 [pubmed] PHST- 2021/11/06 06:00 [medline] PHST- 2021/09/23 20:24 [entrez] AID - S0161-5890(21)00272-8 [pii] AID - 10.1016/j.molimm.2021.09.004 [doi] PST - ppublish SO - Mol Immunol. 2021 Nov;139:177-183. doi: 10.1016/j.molimm.2021.09.004. Epub 2021 Sep 20.