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Study · Not a test of the peptide alone · 2020

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Theoretical study of copper binding to GHK peptide.

Alshammari N, Platts JA

Computational biology and chemistry22 Apr 2020Cited by 6 (Europe PMC)

PMID32371360 (opens in a new tab)DOI10.1016/j.compbiolchem.2020.107265 (opens in a new tab)PepBankPUB-32371360
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Summary

The text of this summary is not shown here, because the article license does not allow reuse. Read it at the source (opens in a new tab)

Text rights: Publisher copyright. Results still quote short attributed sentences.

Results from this study4

No result from this study comes from a test of the peptide.

Studies that did not test the peptide alone4

In this study, GHK-Cu was a lab tool or a carrier, part of a mix, or the subject of a lab method. These results are not evidence about taking GHK-Cu.

  1. 01Computer modelNot a test of GHK-Cu aloneIn silicoMechanism

    Relative energy and geometry of Cu-GHK conformations agreed well between GFN2-xTB semi-empirical and B3LYP-D DFT levels.

    In plain wordsIn computer models, two calculation methods gave similar energies and shapes for copper-GHK forms.

    Peptide
    GHK-Cu
    Outcome
    Not applicableAgreement of semi-empirical and DFT conformer energies
    Study

    n: not reported in source

    Outcome group
    Receptor activity and mechanism · Pharmacology

    Source sentences

    Summary
    Following exhaustive conformational searching using molecular mechanics, we show that relative energy and geometry of conformations are in good agreement between GFN2-xTB semi-empirical and B3LYP-D DFT levels.
    1 context sentence
    Summary · context
    We report ligand field molecular mechanics, density functional theory and semi-empirical studies on the binding of Cu(II) to GlyHisLys (GHK) peptide.

    In this study, GHK-Cu was a lab tool or a carrier, part of a mix, or the subject of a lab method. This result is not evidence about taking GHK-Cu.

  2. 02Computer modelNot a test of GHK-Cu aloneIn silicoMechanism

    Molecular dynamics simulation showed stable copper binding to GHK over a 100 ps trajectory.

    In plain wordsIn computer models, copper stayed bound to the GHK peptide during a short simulation.

    Peptide
    GHK-Cu
    Outcome
    Not applicableStability of copper-peptide binding in molecular dynamics
    Study

    n: not reported in source

    Outcome group
    Receptor activity and mechanism · Pharmacology

    Measurements

    trajectory length
    100 ps
    Cu-GHK molecular dynamics

    Source sentences

    Summary
    Conventional molecular dynamics simulation of Cu-GHK shows the stability of the copper-peptide binding over 100 ps trajectory.
    1 context sentence
    Summary · context
    We report ligand field molecular mechanics, density functional theory and semi-empirical studies on the binding of Cu(II) to GlyHisLys (GHK) peptide.

    In this study, GHK-Cu was a lab tool or a carrier, part of a mix, or the subject of a lab method. This result is not evidence about taking GHK-Cu.

  3. 03Computer modelNot a test of GHK-Cu aloneIn silicoMechanism

    In the simulation, four equatorial bonds of the 3N1O coordination stayed stable, while the apical bond from the C-terminal carboxylate was more fluxional.

    In plain wordsIn computer models, four copper bonds stayed stable and a fifth bond moved more.

    Peptide
    GHK-Cu
    Outcome
    Not applicableCopper coordination geometry in Cu-GHK
    Study

    n: not reported in source

    Outcome group
    Receptor activity and mechanism · Pharmacology

    Source sentences

    Summary
    Four equatorial bonds in 3N1O coordination remain stable throughout simulation, while a fifth in apical position from C-terminal carboxylate is more fluxional.
    1 context sentence
    Summary · context
    We report ligand field molecular mechanics, density functional theory and semi-empirical studies on the binding of Cu(II) to GlyHisLys (GHK) peptide.

    In this study, GHK-Cu was a lab tool or a carrier, part of a mix, or the subject of a lab method. This result is not evidence about taking GHK-Cu.

  4. 04Computer modelNot a test of GHK-Cu aloneIn silicoMechanism

    The CREST conformer and rotamer search algorithm correctly predicted the copper binding position from separated peptide, copper and water.

    In plain wordsIn computer models, a search program correctly predicted where copper binds to the GHK peptide.

    Peptide
    GHK-Cu
    Outcome
    Not applicableCREST prediction of metal binding position
    Study

    n: not reported in source

    Outcome group
    Receptor activity and mechanism · Pharmacology

    Source sentences

    Summary
    We also show that the automated conformer and rotamer search algorithm CREST is able to correctly predict the metal binding position from a starting point consisting of separated peptide, copper and water.
    1 context sentence
    Summary · context
    We report ligand field molecular mechanics, density functional theory and semi-empirical studies on the binding of Cu(II) to GlyHisLys (GHK) peptide.

    In this study, GHK-Cu was a lab tool or a carrier, part of a mix, or the subject of a lab method. This result is not evidence about taking GHK-Cu.

AI wrote and checked these results. AI can make mistakes, so check important results against the source.

Version history

PepBank keeps every version of the data on this study. Status changes from Retraction Watch, Europe PMC and Crossref are listed with their source.

  1. Version 3Current

    10 Oct 2026, 08:19 UTC

    Study results updated

  2. Version 2

    9 Oct 2026, 03:03 UTC

    Study data updated · source update from Europe PMC

  3. Version 1

    9 Oct 2026, 02:56 UTC

    First added · source update from Europe PMC

Subjects

Terms as the source lists them.

Publication types

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