Evidence mapPaperPMID 41376388Full record

ReviewChemical communications (Cambridge, England)2026

Peptide-based drug design using generative AI.

Srinivasan Ekambaram, Nikolay V Dokholyan

Abstract readReview
In one paragraph

Review in Chemical communications (Cambridge, England), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing 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

13 citing papers in PubMed.

  1. Peptide Therapeutics for Solid Tumors: Functional Classes, AI-Enhanced Discovery and Clinical Advances.Journal of peptide science : an official publication of the European Peptide Society · 2026
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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

2 authors.

Srinivasan EkambaramDepartment of Neurology, University of Virginia, Charlottesville, VA 22901, USA. dokh@virginia.edu.ORCID http://orcid.org/0000-0003-2323-8364
Nikolay V DokholyanDepartment of Neurology, University of Virginia, Charlottesville, VA 22901, USA. dokh@virginia.edu.ORCID http://orcid.org/0000-0002-8225-4025

Funding

Nanoscale programming of celluar and physiological phenotypesR35GM134864 · NIGMS · UNIVERSITY OF VIRGINIA · 2022 to 2025
$3.0M
NIGMS NIH HHS R35 GM134864
6 · The paper itself

Abstract

Peptide-based therapeutics have emerged as a significant treatment strategy, offering high specificity and tunable pharmacokinetics. Recent advances in Artificial Intelligence (AI) have shifted the focus towards structure prediction, generative design, and interaction modelling, significantly accelerating drug design and discovery. Deep learning architectures, including graph neural networks, transformers, and diffusion models, have facilitated the generation of novel sequences for the target of interest, although predicting the solubility, immunogenicity, and toxicity of these sequences remains a challenge. Innovations in peptide chemistry, such as cyclization, stapling, non-canonical amino acids, and nanoparticle formulations, help overcome the hurdles of bioavailability and permeation. These chemical approaches, combined with developments in autonomous peptide synthesis and high-throughput screening, have considerably reduced discovery timelines from years to months. Clinically, this progress is apparent in the growing number of approved peptide drugs for metabolic disorders, oncology, and medical imaging. Here, we review recent progress in peptide-based drug design using AI, focusing on generative architectures and interactions. We then examine AI-driven screening and delivery optimization for these peptide-based discoveries. Finally, we discuss the current limitations, practical challenges, and future direction with particular emphasis on data quality and autonomous drug discovery.

Indexed as

Artificial IntelligenceDrug DesignPeptidesHumansPeptides

Identifiers

PMID41376388
PMCPMC13060724

What Socratic holds

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LicenceCC BY-NC
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 Socratic graph.