# Harnessing AI for Antimicrobial Peptide Innovation against Multidrug Resistance

**Authors:** João P. F. Pimentel, Raquel M. Quigua Orozco, Samilla Beatriz de Rezende, Lucas Lima, Marlon H. Cardoso

PMC · DOI: 10.1021/jacsau.5c01520 · JACS Au · 2026-02-02

## TL;DR

AI is helping design new antimicrobial peptides to combat drug-resistant infections by speeding up discovery and optimization.

## Contribution

The paper introduces AI-driven methods, including predictive and generative models, to enhance antimicrobial peptide discovery.

## Key findings

- AI models enable accurate prediction and design of antimicrobial peptides at scale.
- Integration of multiomics data improves peptide screening and functional annotation.
- Quantum computing may help overcome computational challenges in peptide design.

## Abstract

Antimicrobial resistance (AMR) poses a critical global
health threat,
demanding innovative strategies for drug discovery. Antimicrobial
peptides (AMPs) represent promising alternatives, yet traditional
experimental identification is limited by cost and scalability. Advances
in artificial intelligence (AI), particularly machine learning (ML)
and deep learning (DL), have transformed AMP discovery by enabling
the accurate prediction, design, and optimization of novel candidates.
This perspective highlights recent progress in AI-driven approaches,
including predictive models and generative models, which accelerate
large-scale peptide screening and functional annotation. We further
emphasize the integration of multiomics data and the potential role
of emerging technologies, such as quantum computing (QC), in overcoming
computational bottlenecks for peptide design. Together, these approaches
promise to expand the therapeutic landscape, paving the way toward
next-generation peptide-based antimicrobials capable of circumventing
resistance mechanisms and addressing urgent clinical needs.

## Full-text entities

- **Genes:** AOC1 (amine oxidase copper containing 1) [NCBI Gene 26] {aka ABP, ABP1, DAO, DAO1, KAO, KDAO}
- **Diseases:** bacterial infections (MESH:D001424), death (MESH:D003643), infections (MESH:D007239), cytotoxicity (MESH:D064420), GDL (MESH:D007859), hemolysis (MESH:D006461), antibiotic (MESH:D004761), AMR (MESH:D060467)
- **Chemicals:** lipid (MESH:D008055), cefotaxime (MESH:D002439), GAN (-), amino acid (MESH:D000596), ceftazidime (MESH:D002442), vancomycin (MESH:D014640), gentamicin (MESH:D005839), methicillin (MESH:D008712), AMP (MESH:D000089882), ciprofloxacin (MESH:D002939)
- **Species:** Acinetobacter baumannii (species) [taxon 470], Enterococcus faecium (species) [taxon 1352], Bacteria Latreille et al. 1825 (Bacteria stick insect, genus) [taxon 629395], Staphylococcus aureus (species) [taxon 1280], Homo sapiens (human, species) [taxon 9606], Severe acute respiratory syndrome coronavirus 2 (no rank) [taxon 2697049], Escherichia coli (E. coli, species) [taxon 562]

## Full text

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## Figures

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## References

81 references — full list in the complete paper: https://tomesphere.com/paper/PMC12933362/full.md

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Source: https://tomesphere.com/paper/PMC12933362