A Molecular Networking Strategy: High-Throughput Screening and Chemical Analysis of Brazilian Cerrado Plant Extracts against Cancer Cells
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...
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MDPI AG
2021-03-01
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| Series: | Cells |
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| Online Access: | https://www.mdpi.com/2073-4409/10/3/691 |
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| author | Patrícia C. Cortelo Daniel P. Demarque Renata G. Dusi Lorena C. Albernaz Raimundo Braz-Filho Ekaterina I. Goncharova Heidi R. Bokesch Kirk R. Gustafson John A. Beutler Laila S. Espindola |
| author_facet | Patrícia C. Cortelo Daniel P. Demarque Renata G. Dusi Lorena C. Albernaz Raimundo Braz-Filho Ekaterina I. Goncharova Heidi R. Bokesch Kirk R. Gustafson John A. Beutler Laila S. Espindola |
| author_sort | Patrícia C. Cortelo |
| collection | DOAJ |
| description | 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 IC<sub>50</sub> values ranging from <1.3 to 20 µg/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 <i>Salacia crassifolia</i>, <i>Salacia elliptica</i>, <i>Simarouba versicolor</i>, <i>Diospyros hispida</i>, <i>Schinus terebinthifolia</i>, <i>Casearia sylvestris</i> var. <i>lingua</i>, <i>Magonia pubescens</i>, and <i>Rapanea guianensis</i>. 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. |
| first_indexed | 2024-03-10T13:02:38Z |
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| id | doaj.art-1cd6f56b1a7a4ec288871ea59af18416 |
| institution | Directory Open Access Journal |
| issn | 2073-4409 |
| language | English |
| last_indexed | 2024-03-10T13:02:38Z |
| publishDate | 2021-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Cells |
| spelling | doaj.art-1cd6f56b1a7a4ec288871ea59af184162023-11-21T11:20:08ZengMDPI AGCells2073-44092021-03-0110369110.3390/cells10030691A Molecular Networking Strategy: High-Throughput Screening and Chemical Analysis of Brazilian Cerrado Plant Extracts against Cancer CellsPatrícia C. Cortelo0Daniel P. Demarque1Renata G. Dusi2Lorena C. Albernaz3Raimundo Braz-Filho4Ekaterina I. Goncharova5Heidi R. Bokesch6Kirk R. Gustafson7John A. Beutler8Laila S. Espindola9Laboratório de Farmacognosia, Universidade de Brasília, Campus Universitário Darcy Ribeiro, Brasília 70910-900, BrazilLaboratório de Farmacognosia, Universidade de Brasília, Campus Universitário Darcy Ribeiro, Brasília 70910-900, BrazilLaboratório de Farmacognosia, Universidade de Brasília, Campus Universitário Darcy Ribeiro, Brasília 70910-900, BrazilLaboratório de Farmacognosia, Universidade de Brasília, Campus Universitário Darcy Ribeiro, Brasília 70910-900, BrazilFAPERJ/Departamento de Química, Universidade Federal Rural do Rio de Janeiro, Seropédica, 23897-035 RJ, Brazil and Laboratório de Ciências Químicas, Universidade Estadual do Norte Fluminense, Campos dos Goytacazes, 28013-600 RJ, BrazilMolecular Targets Program, National Cancer Institute, Frederick, MD 21702, USAMolecular Targets Program, National Cancer Institute, Frederick, MD 21702, USAMolecular Targets Program, National Cancer Institute, Frederick, MD 21702, USAMolecular Targets Program, National Cancer Institute, Frederick, MD 21702, USALaboratório de Farmacognosia, Universidade de Brasília, Campus Universitário Darcy Ribeiro, Brasília 70910-900, BrazilPlants 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 IC<sub>50</sub> values ranging from <1.3 to 20 µg/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 <i>Salacia crassifolia</i>, <i>Salacia elliptica</i>, <i>Simarouba versicolor</i>, <i>Diospyros hispida</i>, <i>Schinus terebinthifolia</i>, <i>Casearia sylvestris</i> var. <i>lingua</i>, <i>Magonia pubescens</i>, and <i>Rapanea guianensis</i>. 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.https://www.mdpi.com/2073-4409/10/3/691Brazilian Cerrado biomeplant extractscancer cell lineshigh-throughput screeningNCI-60 cancer cell linesmolecular networking |
| spellingShingle | Patrícia C. Cortelo Daniel P. Demarque Renata G. Dusi Lorena C. Albernaz Raimundo Braz-Filho Ekaterina I. Goncharova Heidi R. Bokesch Kirk R. Gustafson John A. Beutler Laila S. Espindola A Molecular Networking Strategy: High-Throughput Screening and Chemical Analysis of Brazilian Cerrado Plant Extracts against Cancer Cells Cells Brazilian Cerrado biome plant extracts cancer cell lines high-throughput screening NCI-60 cancer cell lines molecular networking |
| title | A Molecular Networking Strategy: High-Throughput Screening and Chemical Analysis of Brazilian Cerrado Plant Extracts against Cancer Cells |
| title_full | A Molecular Networking Strategy: High-Throughput Screening and Chemical Analysis of Brazilian Cerrado Plant Extracts against Cancer Cells |
| title_fullStr | A Molecular Networking Strategy: High-Throughput Screening and Chemical Analysis of Brazilian Cerrado Plant Extracts against Cancer Cells |
| title_full_unstemmed | A Molecular Networking Strategy: High-Throughput Screening and Chemical Analysis of Brazilian Cerrado Plant Extracts against Cancer Cells |
| title_short | A Molecular Networking Strategy: High-Throughput Screening and Chemical Analysis of Brazilian Cerrado Plant Extracts against Cancer Cells |
| title_sort | molecular networking strategy high throughput screening and chemical analysis of brazilian cerrado plant extracts against cancer cells |
| topic | Brazilian Cerrado biome plant extracts cancer cell lines high-throughput screening NCI-60 cancer cell lines molecular networking |
| url | https://www.mdpi.com/2073-4409/10/3/691 |
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