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A Molecular Networking Strategy: High-Throughput Screening and Chemical Analysis of Brazilian Cerrado Plant Extracts against Cancer Cells

  1. Author:
    Cortelo, Patricia C.
    Demarque, Daniel P.
    Dusi, Renata G.
    Albernaz, Lorena C.
    Braz-Filho, Raimundo
    Goncharova, Ekaterina I.
    Bokesch, Heidi R.
    Gustafson, Kirk R.
    Beutler, John A.
    Espindola, Laila S.

  2. Author Address

    Univ Brasilia, Campus Univ Darcy Ribeiro, Lab Farmacognosia, BR-70910900 Brasilia, DF, Brazil.NCI, Mol Targets Program, Frederick, MD 21701 USA.Univ Fed Rural Rio De Janeiro, FAPERJ Dept Quim, BR-23897035 Seropedica, RJ, Brazil.Univ Estadual Norte Fluminense, Lab Ciencias Quim, BR-28013600 Campos Dos Goytacazes, RJ, Brazil.Frederick Natl Lab Canc Res, Adv Biomed Computat Sci, Frederick, MD 21702 USA.
    1. Year: 2021
    2. Date: Mar
    3. Epub Date: 2021 Mar 20
  2. Journal: Cells
  3. MDPI,
    1. 10
    2. 3
  5. Type of Article: Article
  6. Article Number: ARTN 691
  7. ISSN: 2073-4409
  1. Abstract:

    Plants have historically been a rich source of successful anticancer drugs and chemotherapeutic agents, with research indicating that this trend will continue. In this contribution, we performed high-throughput cytotoxicity screening of 702 extracts from 95 plant species, representing 40 families of the Brazilian Cerrado biome. Activity was investigated against the following cancer cell lines: colon (Colo205 and Km12), renal (A498 and U031), liver (HEP3B and SKHEP), and osteosarcoma (MG63 and MG63.3). Dose-response tests were conducted with 44 of the most active extracts, with 22 demonstrating IC50 values ranging from < 1.3 to 20 mu g/mL. A molecular networking strategy was formulated using the Global Natural Product Social Molecular Networking (GNPS) platform to visualize, analyze, and annotate the compounds present in 17 extracts active against NCI-60 cell lines. Significant cytotoxic activity was found for Salacia crassifolia, Salacia elliptica, Simarouba versicolor, Diospyros hispida, Schinus terebinthifolia, Casearia sylvestris var. lingua, Magonia pubescens, and Rapanea guianensis. Molecular networking resulted in the annotation of 27 compounds. This strategy provided an initial overview of a complex and diverse natural product data set, yielded a large amount of chemical information, identified patterns and known compounds, and assisted in defining priorities for further studies.

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External Sources

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  2. DOI: 10.3390/cells10030691
  3. PMID: 33804755
  4. PMCID: PMC8004027
  5. View record in Web of Science®
  6. WOS: 000633465300001

Library Notes

  1. Fiscal Year: FY2020-2021
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