{
  "abstract": "Chilean papaya phytochemistry motivates examination of a defined natural-product panel in the context of human intestinal alpha-glucosidases. Before docking can justify molecular prioritization, the procedure must show that it both generates relevant conformations and selects them reliably. The present study evaluated this evidence at the C-terminal catalytic subunit of human maltase-glucoamylase (CtMGAM), using complete native acarbose as a redocking benchmark for seven Vina/Vinardo protocols at two crystallographic copies. Separate analyses assessed a carbohydrate-docking workflow across enzyme families and the structural suitability of deposited ligand copies. Across the complete CtMGAM matrix, near-native acarbose poses were accessible within the first three emitted modes at both copies; consistent first-rank recovery, however, occurred at only one of the two copies. Short-list recovery therefore did not establish reliable automated selection across the two copies. The cross-family workflow showed limited recovery among eligible poses, while exact-copy screening identified density and catalytic-site context as constraints on benchmark choice. Together, these results define an evidence boundary for interpreting docking in Chilean papaya bioprospecting: the natural-product panel is chemically defined but cannot yet be ranked by the evaluated procedures. Direct biochemical assays are required to establish its activity at CtMGAM.",
  "abstract_shown": true,
  "affiliations": [
    "Universidad Central"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 1,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Roberto Pizarro Díaz",
      "orcid": "0009-0004-1087-2678"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/6haweb7xx95zb.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15004168/v3",
  "fulltext_url": null,
  "id": "6haweb7xx95zb",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15004168/v3",
  "language": null,
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1703|Computational Drug Discovery Methods"
    ]
  ],
  "openalex": "W7220961017",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15004168/v3",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-08",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/6haweb7xx95zb.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:22Z",
      "native_id": "10.26434/chemrxiv.15004168",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15004168/v3"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "source:chemrxiv",
      "subfield": "general"
    }
  ],
  "title": "Chilean Papaya Bioprospecting for Human α-Glucosidase: Near-Native Pose Recovery in CtMGAM Docking",
  "title_text": "Chilean Papaya Bioprospecting for Human α-Glucosidase: Near-Native Pose Recovery in CtMGAM Docking",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:22Z",
  "url": "https://research.draconitic.com/paper/6haweb7xx95zb",
  "venue": "ChemRxiv",
  "versions": []
}