Evidence map›Paper›PMID 41801219›Full record

ArticleAdvanced science (Weinheim, Baden-Wurttemberg, Germany)2026

De Novo Multi-Mechanism Antimicrobial Peptide Design via Multimodal Deep Learning.

Xiaojuan Li, Haifan Gong, Yue Wang, Yinuo Zhao, Lixiang Li, Peijing Bao, Qingzhou Kong, Jialu Fu, Boyao Wan, Yumeng Zhang and 14 more

Abstract read
In one paragraph

Article in Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
  4. Review
  5. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

24 authors.

Xiaojuan LiDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.ORCID https://orcid.org/0009-0005-4025-3285
Haifan GongSchool of Science and Engineering, Chinese University of Hong Kong, Shenzhen, China.ORCID https://orcid.org/0000-0002-2749-6830
Yue WangDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.ORCID https://orcid.org/0000-0003-2486-6071
Yinuo ZhaoDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.ORCID https://orcid.org/0009-0004-7550-9941
Lixiang LiDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Peijing BaoDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Qingzhou KongDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Jialu FuDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Boyao WanSchool of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing, China.
Yumeng ZhangSchool of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, China.
Jinghui ZhangDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Jiekun NiDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Zhongxue HanDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Xueping NanDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Kunping JuDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Longfei SunDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Yuerui MaDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Huijun ChangDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Mengqi ZhengDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Yanbo YuDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Xiaoyun YangDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Xiuli ZuoDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.
Haina WangSchool of Pharmaceutical Sciences, Shandong University, Jinan, Shandong, China.
Yanqing LiDepartment of Gastroenterology, Qilu Hospital of Shandong University, Jinan, China.ORCID https://orcid.org/0000-0003-0575-0399

Funding

National Clinical Research Center for Digestive Diseases 2015BAI13B07National Natural Science Foundation of China 82070552National Natural Science Foundation of China 82270580Taishan Scholars Program of Shandong Province
6 · The paper itself

Abstract

Artificial intelligence (AI)-driven discovery of antimicrobial peptides (AMPs) is yet to fully utilize their three-dimensional (3D) structural characteristics, microbial species-specific antimicrobial activities, and mechanisms. Here, we constructed a QLAPD database comprising the sequence, structures, and antimicrobial properties of 12 914 AMPs. QLAPD underlies a multimodal, multitask, multilabel, and conditionally controlled AMP discovery (M3-CAD) pipeline, proposed for the de novo design of multi-mechanism AMPs to combat multidrug-resistant organisms (MDROs). This pipeline integrates generation, regression, and classification modules, using an innovative 3D voxel coloring method to capture the nuanced physicochemical context of amino acids, thus enhancing structural characterizations. QLX-3DV-1 and QLX-3DV-2, identified through M3-CAD, were found to demonstrate multiple antimicrobial mechanisms, notable activity against MDROs, and low toxicity. In vivo experiments were used to validate their antimicrobial effects with limited local and systemic toxicity. Overall, integrating 3D features, species-specific antimicrobial activities, and mechanisms enhanced AI-driven AMP discovery, making the M3-CAD pipeline a viable tool for de novo AMP design.

Indexed as

Antimicrobial PeptidesDeep LearningDrug DesignAnimalsHumansAntimicrobial Peptides3D structureantimicrobial peptidede novo designmulti‐mechanism antimicrobial peptidemultimodal deep learning

Identifiers

PMID41801219
PMCPMC13185819

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.