{
  "abstract": "Malaria is a severe parasitic disease, with Plasmodium falciparum as one of the main etiological agents. The growing resistance to antimalarial drugs underscores the urgent need for the development of new therapeutic agents. This study describes the semisynthesis of eight new 1,4-disubstituted 1,2,3-triazole derivatives (3-10) from N,N-dimethyltryptamine (1), isolated from Mimosa tenuiflora. The derivatives were obtained through copper(I)-catalyzed alkyne-azide cycloaddition (CuAAC) reactions and characterized by NMR and mass spectrometry. Compound 1 showed low in vitro activity against the W2 strain of P. falciparum (IC₅₀ = 288.4 ± 28.53 µM), whereas compound 4 demonstrated promising activity (IC₅₀ = 4.8 ± 0.32 µM), with higher selectivity toward the TOV-21G cell line. In in silico studies, all derivatives showed more favorable binding energy values compared to compound 1, particularly compound 7 (-9.8 kcal/mol) relative to the crystallographic ligand (-6.9 kcal/mol). These results highlight the importance of structural modifications in the development of new antimalarial agents.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Chemistry, Federal University of Piauí, Teresina, Brazil.",
    "Department of Chemistry, Federal University of Espírito Santo, Vitória, Brazil.",
    "Research Center in Biological Chemistry (NQBio), Federal University of São João Del-Rei, Divinópolis, Brazil.",
    "Immunopathology and Tropical Diseases Laboratory, Federal Research and Educational Support Center in Health (NUPADS), Institute of Health Sciences, University of Mato Grosso, Sinop, Brazil.",
    "Department of Biotechnology, SGB Amravati University, Amravati, Maharashtra, India."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 14,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Renato Pinto de Sousa",
      "orcid": "0000-0002-8217-3655"
    },
    {
      "affs": [
        1
      ],
      "name": "William Cezar de Lima Silva"
    },
    {
      "affs": [
        2
      ],
      "name": "Caíque Lopes Duarte"
    },
    {
      "affs": [
        2
      ],
      "name": "Ana Claudia de Souza Pinto"
    },
    {
      "affs": [
        2
      ],
      "name": "Amanda Luisa da Fonseca"
    },
    {
      "affs": [
        2
      ],
      "name": "Fernanda Alice de Oliveira",
      "orcid": "0000-0002-2421-2425"
    },
    {
      "affs": [
        2
      ],
      "name": "Fernando de Pilla Varotti",
      "orcid": "0000-0002-2939-7780"
    },
    {
      "affs": [
        3
      ],
      "name": "Bruno Antônio Marinho Sanchez",
      "orcid": "0000-0001-9097-0112"
    },
    {
      "affs": [
        0,
        4
      ],
      "name": "Mahendra Rai"
    },
    {
      "affs": [
        0
      ],
      "name": "Maurício Pires de Moura do Amaral",
      "orcid": "0000-0003-3762-6712"
    },
    {
      "affs": [
        0
      ],
      "name": "Mariana Helena Chaves"
    },
    {
      "affs": [
        0
      ],
      "name": "João Sammy Nery de Souza"
    },
    {
      "affs": [
        1
      ],
      "name": "Warley de Souza Borges",
      "orcid": "0000-0003-4475-1028"
    },
    {
      "affs": [
        0
      ],
      "name": "Gerardo Magela Vieira Júnior",
      "orcid": "0000-0001-8113-8957"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/2hbp3100thr3h.bib",
  "cited_by": 0,
  "doi": "10.1002/cbdv.71849",
  "fulltext_url": "https://europepmc.org/articles/PMC13685483",
  "id": "2hbp3100thr3h",
  "issns": [
    "1612-1872",
    "1612-1880"
  ],
  "landing_url": "https://europepmc.org/article/MED/42904838",
  "language": "eng",
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1312|Synthesis and bioactivity of alkaloids"
    ]
  ],
  "openalex": "W7223150523",
  "pdf_url": "https://europepmc.org/articles/PMC13685483?pdf=render",
  "pmcid": "PMC13685483",
  "pmid": "42904838",
  "published": "2026-10-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/2hbp3100thr3h.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:19:57Z",
      "native_id": "MED:42904838",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42904838"
    }
  ],
  "subjects": [
    {
      "field": "biochemistry",
      "origin": "openalex:1312|Synthesis and bioactivity of alkaloids",
      "subfield": "molecular-biology"
    }
  ],
  "title": "Synthesis of 1,2,3-Triazole Derivatives of N,N-Dimethyltryptamine Isolated From Mimosa tenuiflora Root Bark: Antiplasmodial Activity In Silico and In Vitro.",
  "title_text": "Synthesis of 1,2,3-Triazole Derivatives of N,N-Dimethyltryptamine Isolated From Mimosa tenuiflora Root Bark: Antiplasmodial Activity In Silico and In Vitro.",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:19:57Z",
  "url": "https://research.draconitic.com/paper/2hbp3100thr3h",
  "venue": "Chemistry & biodiversity",
  "versions": []
}