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Study · Not a test of the peptide alone · 2022

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A Molecular Docking Study of Human STEAP2 for the Discovery of New Potential Anti-Prostate Cancer Chemotherapeutic Candidates.

Ongaba T, Ndekezi C, Nakiddu N

Frontiers in bioinformatics24 May 2022Cited by 4 (Europe PMC)

PMID36304279 (opens in a new tab)PMCIDPMC9580961 (opens in a new tab)DOI10.3389/fbinf.2022.869375 (opens in a new tab)PepBankPUB-36304279
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Summary

Prostate cancer is a rising health concern and accounts for 3.8% of all cancer deaths globally. Uganda has one of the highest incidence rates of the disease in Africa at 5.2% with the majority of diagnosed patients found to have advanced disease. This study aimed to use the STEAP2 protein (prostate cancer-specific biomarker) for the discovery of new targeted therapy. To determine the most likely compound that can bind to the STEAP2 protein, we docked the modeled STEAP2 3D structure against 2466 FDA (Food and Drug Administration)-approved drug candidates using AutoDock Vina. Protein basic local alignment search tool (BLASTp) search, multiple sequence alignment (MSA), and phylogenetics were further carried out to analyze the diversity of this marker and determine its conserved domains as suitable target regions. Six promising drug candidates (ligands) were identified. Triptorelin had the highest binding energy (-12.1 kcal/mol) followed by leuprolide (docking energy: -11.2 kcal/mol). All the top two drug candidates interacted with residues Ser-372 and Gly-369 in close proximity with the iron-binding domain (an important catalyst of metal reduction). The two drugs had earlier been approved for the treatment of advanced prostate cancer with an elusive mode of action. Through this study, further insight into figuring out their interaction with STEAP2 might be important during treatment.
CC BYText from Europe PMC. Highlighted sentences are the source of results.

Results from this study2

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

Studies that did not test the peptide alone2

In this study, Triptorelin (Trelstar, Decapeptyl) 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 Triptorelin (Trelstar, Decapeptyl).

  1. 01Computer modelNot a test of Triptorelin (Trelstar, Decapeptyl) aloneIn silicoActivity measurement

    In computer docking, triptorelin had the highest reported STEAP2 binding energy rank, with a docking energy of -12.1 kcal/mol.

    In plain wordsIn computer models, triptorelin ranked highest for STEAP2 binding, with docking energy of -12.1 kcal/mol.

    Peptide
    Triptorelin (Trelstar, Decapeptyl)
    Outcome
    Not applicableSTEAP2 docking energy
    Study

    n: not reported in source

    Modeled human STEAP2 structure
    Outcome group
    Receptor activity and mechanism · Pharmacology

    Measurements

    Docking energy
    −12.1 kcal/mol
    STEAP2

    Source sentences

    Summary
    Triptorelin had the highest binding energy (-12.1 kcal/mol) followed by leuprolide (docking energy: -11.2 kcal/mol).
    1 context sentence
    Summary · context
    To determine the most likely compound that can bind to the STEAP2 protein, we docked the modeled STEAP2 3D structure against 2466 FDA (Food and Drug Administration)-approved drug candidates using AutoDock Vina.

    In this study, Triptorelin (Trelstar, Decapeptyl) 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 Triptorelin (Trelstar, Decapeptyl).

  2. 02Computer modelNot a test of Triptorelin (Trelstar, Decapeptyl) aloneIn silicoMechanism

    In computer docking, triptorelin interacted with STEAP2 residues Ser-372 and Gly-369 near the iron-binding domain.

    In plain wordsIn computer models, triptorelin interacted with STEAP2 residues Ser-372 and Gly-369 near its iron-binding region.

    Peptide
    Triptorelin (Trelstar, Decapeptyl)
    Outcome
    Not applicableSTEAP2 binding residues
    Study

    n: not reported in source

    Modeled human STEAP2 structure
    Outcome group
    Receptor activity and mechanism · Pharmacology

    Source sentences

    Summary
    All the top two drug candidates interacted with residues Ser-372 and Gly-369 in close proximity with the iron-binding domain (an important catalyst of metal reduction).
    2 context sentences
    Summary · context
    Triptorelin had the highest binding energy (-12.1 kcal/mol) followed by leuprolide (docking energy: -11.2 kcal/mol).
    Summary · context
    To determine the most likely compound that can bind to the STEAP2 protein, we docked the modeled STEAP2 3D structure against 2466 FDA (Food and Drug Administration)-approved drug candidates using AutoDock Vina.

    In this study, Triptorelin (Trelstar, Decapeptyl) 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 Triptorelin (Trelstar, Decapeptyl).

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

    27 Oct 2026, 16:37 UTC

    Study data updated · source update from Europe PMC

  2. Version 2

    22 Oct 2026, 02:26 UTC

    Study results updated

  3. Version 1

    21 Oct 2026, 18:59 UTC

    First added · source update from Europe PMC

Subjects

Terms as the source lists them.

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