Genome-Scale Metabolic Reconstruction, Non-Targeted LC-QTOF-MS Based Metabolomics Data, and Evaluation of Anticancer Activity of <i>Cannabis sativa</i> Leaf Extracts
Over the past decades, Colombia has suffered complex social problems related to illicit crops, including forced displacement, violence, and environmental damage, among other consequences for vulnerable populations. Considerable effort has been made in the regulation of illicit crops, predominantly &...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-06-01
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| Series: | Metabolites |
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| Online Access: | https://www.mdpi.com/2218-1989/13/7/788 |
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| author | Fidias D. González Camargo Mary Santamaria-Torres Mónica P. Cala Marcela Guevara-Suarez Silvia Restrepo Restrepo Andrea Sánchez-Camargo Miguel Fernández-Niño María Corujo Ada Carolina Gallo Molina Javier Cifuentes Julian A. Serna Juan C. Cruz Carolina Muñoz-Camargo Andrés F. Gonzalez Barrios |
| author_facet | Fidias D. González Camargo Mary Santamaria-Torres Mónica P. Cala Marcela Guevara-Suarez Silvia Restrepo Restrepo Andrea Sánchez-Camargo Miguel Fernández-Niño María Corujo Ada Carolina Gallo Molina Javier Cifuentes Julian A. Serna Juan C. Cruz Carolina Muñoz-Camargo Andrés F. Gonzalez Barrios |
| author_sort | Fidias D. González Camargo |
| collection | DOAJ |
| description | Over the past decades, Colombia has suffered complex social problems related to illicit crops, including forced displacement, violence, and environmental damage, among other consequences for vulnerable populations. Considerable effort has been made in the regulation of illicit crops, predominantly <i>Cannabis sativa</i>, leading to advances such as the legalization of medical cannabis and its derivatives, the improvement of crops, and leaving an open window to the development of scientific knowledge to explore alternative uses. It is estimated that <i>C. sativa</i> can produce approximately 750 specialized secondary metabolites. Some of the most relevant due to their anticancer properties, besides cannabinoids, are monoterpenes, sesquiterpenoids, triterpenoids, essential oils, flavonoids, and phenolic compounds. However, despite the increase in scientific research on the subject, it is necessary to study the primary and secondary metabolism of the plant and to identify key pathways that explore its great metabolic potential. For this purpose, a genome-scale metabolic reconstruction of <i>C. sativa</i> is described and contextualized using LC-QTOF-MS metabolic data obtained from the leaf extract from plants grown in the region of Pesca-Boyaca, Colombia under greenhouse conditions at the Clever Leaves facility. A compartmentalized model with 2101 reactions and 1314 metabolites highlights pathways associated with fatty acid biosynthesis, steroids, and amino acids, along with the metabolism of purine, pyrimidine, glucose, starch, and sucrose. Key metabolites were identified through metabolomic data, such as neurine, cannabisativine, cannflavin A, palmitoleic acid, cannabinoids, geranylhydroquinone, and steroids. They were analyzed and integrated into the reconstruction, and their potential applications are discussed. Cytotoxicity assays revealed high anticancer activity against gastric adenocarcinoma (AGS), melanoma cells (A375), and lung carcinoma cells (A549), combined with negligible impact against healthy human skin cells. |
| first_indexed | 2024-03-11T00:50:29Z |
| format | Article |
| id | doaj.art-0eab42fc43ea41118fd7c7dadd381dfa |
| institution | Directory Open Access Journal |
| issn | 2218-1989 |
| language | English |
| last_indexed | 2024-03-11T00:50:29Z |
| publishDate | 2023-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Metabolites |
| spelling | doaj.art-0eab42fc43ea41118fd7c7dadd381dfa2023-11-18T20:27:12ZengMDPI AGMetabolites2218-19892023-06-0113778810.3390/metabo13070788Genome-Scale Metabolic Reconstruction, Non-Targeted LC-QTOF-MS Based Metabolomics Data, and Evaluation of Anticancer Activity of <i>Cannabis sativa</i> Leaf ExtractsFidias D. González Camargo0Mary Santamaria-Torres1Mónica P. Cala2Marcela Guevara-Suarez3Silvia Restrepo Restrepo4Andrea Sánchez-Camargo5Miguel Fernández-Niño6María Corujo7Ada Carolina Gallo Molina8Javier Cifuentes9Julian A. Serna10Juan C. Cruz11Carolina Muñoz-Camargo12Andrés F. Gonzalez Barrios13Group of Product and Process Design, Department of Chemical and Food Engineering, Universidad de los Andes, Bogotá 111711, ColombiaMetabolomics Core Facility—MetCore Vice-Presidency for Research and Creation, Universidad de los Andes, Bogotá 111711, ColombiaMetabolomics Core Facility—MetCore Vice-Presidency for Research and Creation, Universidad de los Andes, Bogotá 111711, ColombiaApplied Genomics Research Group Vice-Presidency for Research and Creation, Universidad de los Andes, Bogotá 111711, ColombiaLaboratory of Mycology and Phytopathology (LAMFU), Department of Biological Sciences and Department of Chemical and Food Engineering, Universidad de los Andes, Bogotá 111711, ColombiaGroup of Product and Process Design, Department of Chemical and Food Engineering, Universidad de los Andes, Bogotá 111711, ColombiaLeibniz-Institute of Plant Biochemistry, Department of Bioorganic Chemistry, Weinberg 3, 06110 Halle, GermanyEcomedics S.A.S., Commercially Known as Clever Leaves, Calle 95 # 11A-94, Bogota 110221, ColombiaChemical and Biochemical Processes Group, Department of Chemical and Environmental Engineering, National University of Colombia, Bogotá 11001, ColombiaResearch Group on Nanobiomaterials, Cell Engineering and Bioprinting (GINIB), Department of Biomedical Engineering, Universidad de los Andes, Bogotá 111711, ColombiaResearch Group on Nanobiomaterials, Cell Engineering and Bioprinting (GINIB), Department of Biomedical Engineering, Universidad de los Andes, Bogotá 111711, ColombiaResearch Group on Nanobiomaterials, Cell Engineering and Bioprinting (GINIB), Department of Biomedical Engineering, Universidad de los Andes, Bogotá 111711, ColombiaResearch Group on Nanobiomaterials, Cell Engineering and Bioprinting (GINIB), Department of Biomedical Engineering, Universidad de los Andes, Bogotá 111711, ColombiaGroup of Product and Process Design, Department of Chemical and Food Engineering, Universidad de los Andes, Bogotá 111711, ColombiaOver the past decades, Colombia has suffered complex social problems related to illicit crops, including forced displacement, violence, and environmental damage, among other consequences for vulnerable populations. Considerable effort has been made in the regulation of illicit crops, predominantly <i>Cannabis sativa</i>, leading to advances such as the legalization of medical cannabis and its derivatives, the improvement of crops, and leaving an open window to the development of scientific knowledge to explore alternative uses. It is estimated that <i>C. sativa</i> can produce approximately 750 specialized secondary metabolites. Some of the most relevant due to their anticancer properties, besides cannabinoids, are monoterpenes, sesquiterpenoids, triterpenoids, essential oils, flavonoids, and phenolic compounds. However, despite the increase in scientific research on the subject, it is necessary to study the primary and secondary metabolism of the plant and to identify key pathways that explore its great metabolic potential. For this purpose, a genome-scale metabolic reconstruction of <i>C. sativa</i> is described and contextualized using LC-QTOF-MS metabolic data obtained from the leaf extract from plants grown in the region of Pesca-Boyaca, Colombia under greenhouse conditions at the Clever Leaves facility. A compartmentalized model with 2101 reactions and 1314 metabolites highlights pathways associated with fatty acid biosynthesis, steroids, and amino acids, along with the metabolism of purine, pyrimidine, glucose, starch, and sucrose. Key metabolites were identified through metabolomic data, such as neurine, cannabisativine, cannflavin A, palmitoleic acid, cannabinoids, geranylhydroquinone, and steroids. They were analyzed and integrated into the reconstruction, and their potential applications are discussed. Cytotoxicity assays revealed high anticancer activity against gastric adenocarcinoma (AGS), melanoma cells (A375), and lung carcinoma cells (A549), combined with negligible impact against healthy human skin cells.https://www.mdpi.com/2218-1989/13/7/788<i>Cannabis sativa</i>plant genome-scale metabolic reconstructionmetabolomic validationsecondary metabolismanticancer activity |
| spellingShingle | Fidias D. González Camargo Mary Santamaria-Torres Mónica P. Cala Marcela Guevara-Suarez Silvia Restrepo Restrepo Andrea Sánchez-Camargo Miguel Fernández-Niño María Corujo Ada Carolina Gallo Molina Javier Cifuentes Julian A. Serna Juan C. Cruz Carolina Muñoz-Camargo Andrés F. Gonzalez Barrios Genome-Scale Metabolic Reconstruction, Non-Targeted LC-QTOF-MS Based Metabolomics Data, and Evaluation of Anticancer Activity of <i>Cannabis sativa</i> Leaf Extracts Metabolites <i>Cannabis sativa</i> plant genome-scale metabolic reconstruction metabolomic validation secondary metabolism anticancer activity |
| title | Genome-Scale Metabolic Reconstruction, Non-Targeted LC-QTOF-MS Based Metabolomics Data, and Evaluation of Anticancer Activity of <i>Cannabis sativa</i> Leaf Extracts |
| title_full | Genome-Scale Metabolic Reconstruction, Non-Targeted LC-QTOF-MS Based Metabolomics Data, and Evaluation of Anticancer Activity of <i>Cannabis sativa</i> Leaf Extracts |
| title_fullStr | Genome-Scale Metabolic Reconstruction, Non-Targeted LC-QTOF-MS Based Metabolomics Data, and Evaluation of Anticancer Activity of <i>Cannabis sativa</i> Leaf Extracts |
| title_full_unstemmed | Genome-Scale Metabolic Reconstruction, Non-Targeted LC-QTOF-MS Based Metabolomics Data, and Evaluation of Anticancer Activity of <i>Cannabis sativa</i> Leaf Extracts |
| title_short | Genome-Scale Metabolic Reconstruction, Non-Targeted LC-QTOF-MS Based Metabolomics Data, and Evaluation of Anticancer Activity of <i>Cannabis sativa</i> Leaf Extracts |
| title_sort | genome scale metabolic reconstruction non targeted lc qtof ms based metabolomics data and evaluation of anticancer activity of i cannabis sativa i leaf extracts |
| topic | <i>Cannabis sativa</i> plant genome-scale metabolic reconstruction metabolomic validation secondary metabolism anticancer activity |
| url | https://www.mdpi.com/2218-1989/13/7/788 |
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