Evidence map›Paper›PMID 40317592›Full record

ArticleChemical biology & drug design2025

Computational Design of a Bicyclic Peptide Inhibitor Targeting the ICOS/ICOS-L Protein-Protein Interaction.

Laura Calvo-Barreiro, Maxim Secor, Jovan Damjanovic, Somaya A Abdel-Rahman, Yu-Shan Lin, Moustafa Gabr

Abstract read
In one paragraph

Article in Chemical biology & drug design, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Review
  2. Review
  3. CyclicMPNN: Stable Cyclic Peptide Sequence Generation.bioRxiv : the preprint server for biology · 2026
    Article
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

6 authors.

Laura Calvo-BarreiroDepartment of Radiology, Molecular Imaging Innovations Institute (MI3), Weill Cornell Medicine, New York, New York, USA.
Maxim SecorDepartment of Chemistry, Tufts University, Medford, Massachusetts, USA.
Jovan DamjanovicDepartment of Chemistry, Tufts University, Medford, Massachusetts, USA.
Somaya A Abdel-RahmanDepartment of Radiology, Molecular Imaging Innovations Institute (MI3), Weill Cornell Medicine, New York, New York, USA.
Yu-Shan LinDepartment of Chemistry, Tufts University, Medford, Massachusetts, USA.
Moustafa GabrDepartment of Radiology, Molecular Imaging Innovations Institute (MI3), Weill Cornell Medicine, New York, New York, USA.

Funding

Resource for Biocomputing Visualization and InformaticsP41GM103311 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN FRANCISCO · PI FERRIN, THOMAS E · 2012 to 2017
$8.2M
Understanding and Designing Cyclic PeptidesR01GM124160 · NIGMS · TUFTS UNIVERSITY MEDFORD · PI Yu-Shan Lin · 2017 to 2026
$3.2M
Optimization of small molecule immunomodulators as combination therapy for IBDR01DK137299 · NIDDK · WEILL MEDICAL COLL OF CORNELL UNIV · PI Moustafa Gabr · 2024 to 2026
$2.0M
NIDDK NIH HHS R01 DK137299NIGMS NIH HHS P41 GM103311NIGMS NIH HHS R01 GM124160
6 · The paper itself

Abstract

The interaction between the inducible T-cell costimulatory molecule (ICOS) and its ligand (ICOS-L) is a critical pathway in T-cell activation and immune regulation. We computationally designed a bicyclic peptide (CP5) that inhibits the ICOS/ICOS-L protein-protein interaction (PPI). Using the structural insights derived from the ICOS/ICOS-L co-crystal structure (PDB: 6X4G) and bias-exchange metadynamics simulations (BE-META), we first designed monocyclic peptide candidates containing the β-strand (residues 51-55

Indexed as

Drug DesignInducible T-Cell Co-Stimulator LigandInducible T-Cell Co-Stimulator ProteinPeptides, CyclicHumansMolecular Dynamics SimulationProtein BindingInducible T-Cell Co-Stimulator LigandInducible T-Cell Co-Stimulator ProteinPeptides, Cycliccyclic peptidesICOSimmune checkpointsin silico designprotein–protein interactions

Identifiers

PMID40317592
PMCPMC12121478

What OpenQuestion holds

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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.