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Structural and In Silico Characterization of Small Molecules Isolated from Eichhornia crassipes

Eichhornia crassipes has been reported to have various medicinal properties including anticancer activities. The plant was collected from the Shire river in Malawi, and two cytotoxic compounds, benzene-1,4-diol and nonanedioic acid, were isolated and characterized for the first time in the leaves an...

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Autores principales: Mtewa, Andrew, Sesaazi, Duncan C., Lampiao, Fanuel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7246410/
https://www.ncbi.nlm.nih.gov/pubmed/32508941
http://dx.doi.org/10.1155/2020/1375639
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author Mtewa, Andrew
Sesaazi, Duncan C.
Lampiao, Fanuel
author_facet Mtewa, Andrew
Sesaazi, Duncan C.
Lampiao, Fanuel
author_sort Mtewa, Andrew
collection PubMed
description Eichhornia crassipes has been reported to have various medicinal properties including anticancer activities. The plant was collected from the Shire river in Malawi, and two cytotoxic compounds, benzene-1,4-diol and nonanedioic acid, were isolated and characterized for the first time in the leaves and roots of the plant. (1)H NMR, COSY, HSQC, HMBC, 13-C, and LCMS spectroscopic experimental techniques were used to identify the compounds in their pure forms. In silico experiments showed that both compounds do not have AMES toxicity and do not inhibit cytochrome P450 enzymes, but nonanedioic acid acts as a CYP2D6 substrate. This work showed that Eichhornia crassipes can be considered to have a role as a source of potential hits and leads to drug development that can be rationally optimized for drugs.
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spelling pubmed-72464102020-06-06 Structural and In Silico Characterization of Small Molecules Isolated from Eichhornia crassipes Mtewa, Andrew Sesaazi, Duncan C. Lampiao, Fanuel Evid Based Complement Alternat Med Research Article Eichhornia crassipes has been reported to have various medicinal properties including anticancer activities. The plant was collected from the Shire river in Malawi, and two cytotoxic compounds, benzene-1,4-diol and nonanedioic acid, were isolated and characterized for the first time in the leaves and roots of the plant. (1)H NMR, COSY, HSQC, HMBC, 13-C, and LCMS spectroscopic experimental techniques were used to identify the compounds in their pure forms. In silico experiments showed that both compounds do not have AMES toxicity and do not inhibit cytochrome P450 enzymes, but nonanedioic acid acts as a CYP2D6 substrate. This work showed that Eichhornia crassipes can be considered to have a role as a source of potential hits and leads to drug development that can be rationally optimized for drugs. Hindawi 2020-05-15 /pmc/articles/PMC7246410/ /pubmed/32508941 http://dx.doi.org/10.1155/2020/1375639 Text en Copyright © 2020 Andrew Mtewa et al. http://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Mtewa, Andrew
Sesaazi, Duncan C.
Lampiao, Fanuel
Structural and In Silico Characterization of Small Molecules Isolated from Eichhornia crassipes
title Structural and In Silico Characterization of Small Molecules Isolated from Eichhornia crassipes
title_full Structural and In Silico Characterization of Small Molecules Isolated from Eichhornia crassipes
title_fullStr Structural and In Silico Characterization of Small Molecules Isolated from Eichhornia crassipes
title_full_unstemmed Structural and In Silico Characterization of Small Molecules Isolated from Eichhornia crassipes
title_short Structural and In Silico Characterization of Small Molecules Isolated from Eichhornia crassipes
title_sort structural and in silico characterization of small molecules isolated from eichhornia crassipes
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7246410/
https://www.ncbi.nlm.nih.gov/pubmed/32508941
http://dx.doi.org/10.1155/2020/1375639
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