In Silico Conformation of the Drug Colchicine into Tubulin Models and Acute Phytotoxic Activity on Cucumis sativus Radicles
Many tests are used to determine the toxic activity of miscellaneous substances, and those that are simple, fast, and inexpensive are useful for screening compounds with applications in different fields. The Cucumis sativus root growth inhibition test is an example of acute toxicity determinations....
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9323635/ https://www.ncbi.nlm.nih.gov/pubmed/35890440 http://dx.doi.org/10.3390/plants11141805 |
_version_ | 1784756600925323264 |
---|---|
author | Peña-Morán, Omar Aristeo Jiménez-Pérez, Jesús Cerón-Romero, Litzia Rodríguez-Aguilar, Maribel |
author_facet | Peña-Morán, Omar Aristeo Jiménez-Pérez, Jesús Cerón-Romero, Litzia Rodríguez-Aguilar, Maribel |
author_sort | Peña-Morán, Omar Aristeo |
collection | PubMed |
description | Many tests are used to determine the toxic activity of miscellaneous substances, and those that are simple, fast, and inexpensive are useful for screening compounds with applications in different fields. The Cucumis sativus root growth inhibition test is an example of acute toxicity determinations. On the other hand, colchicine has been used as a herbicide to generate polyploids in plant species finally reaching the environment; for this reason, colchicine could become a point of attention in ecotoxicology. This work established that Cucumis sativus, at the colchicine binding site (CBS) in tubulin, shares 100% similarity with humans. Colchicine was docked on seven Cucumis sativus computational models of the αβ-tubulin heterodimer, allowing us to understand a possible conformation in tubulin to trigger its antimitotic effect. Furthermore, an in vitro phytotoxicity assay of colchicine-treated cucumber radicles indicated a hormetic-type concentration-dependent response with macroscopic changes in radicles and hypocotyl. These results support the highly preserved grade of tubulins in several species, and using microtubule inhibitors could require attention in ecotoxicological issues. The Cucumis sativus root growth test could help evaluate small molecules (colchicine analogs), chiefly by CBS interactions, a known druggable site, still a target in the search for antimitotic compounds. |
format | Online Article Text |
id | pubmed-9323635 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-93236352022-07-27 In Silico Conformation of the Drug Colchicine into Tubulin Models and Acute Phytotoxic Activity on Cucumis sativus Radicles Peña-Morán, Omar Aristeo Jiménez-Pérez, Jesús Cerón-Romero, Litzia Rodríguez-Aguilar, Maribel Plants (Basel) Article Many tests are used to determine the toxic activity of miscellaneous substances, and those that are simple, fast, and inexpensive are useful for screening compounds with applications in different fields. The Cucumis sativus root growth inhibition test is an example of acute toxicity determinations. On the other hand, colchicine has been used as a herbicide to generate polyploids in plant species finally reaching the environment; for this reason, colchicine could become a point of attention in ecotoxicology. This work established that Cucumis sativus, at the colchicine binding site (CBS) in tubulin, shares 100% similarity with humans. Colchicine was docked on seven Cucumis sativus computational models of the αβ-tubulin heterodimer, allowing us to understand a possible conformation in tubulin to trigger its antimitotic effect. Furthermore, an in vitro phytotoxicity assay of colchicine-treated cucumber radicles indicated a hormetic-type concentration-dependent response with macroscopic changes in radicles and hypocotyl. These results support the highly preserved grade of tubulins in several species, and using microtubule inhibitors could require attention in ecotoxicological issues. The Cucumis sativus root growth test could help evaluate small molecules (colchicine analogs), chiefly by CBS interactions, a known druggable site, still a target in the search for antimitotic compounds. MDPI 2022-07-08 /pmc/articles/PMC9323635/ /pubmed/35890440 http://dx.doi.org/10.3390/plants11141805 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Peña-Morán, Omar Aristeo Jiménez-Pérez, Jesús Cerón-Romero, Litzia Rodríguez-Aguilar, Maribel In Silico Conformation of the Drug Colchicine into Tubulin Models and Acute Phytotoxic Activity on Cucumis sativus Radicles |
title | In Silico Conformation of the Drug Colchicine into Tubulin Models and Acute Phytotoxic Activity on Cucumis sativus Radicles |
title_full | In Silico Conformation of the Drug Colchicine into Tubulin Models and Acute Phytotoxic Activity on Cucumis sativus Radicles |
title_fullStr | In Silico Conformation of the Drug Colchicine into Tubulin Models and Acute Phytotoxic Activity on Cucumis sativus Radicles |
title_full_unstemmed | In Silico Conformation of the Drug Colchicine into Tubulin Models and Acute Phytotoxic Activity on Cucumis sativus Radicles |
title_short | In Silico Conformation of the Drug Colchicine into Tubulin Models and Acute Phytotoxic Activity on Cucumis sativus Radicles |
title_sort | in silico conformation of the drug colchicine into tubulin models and acute phytotoxic activity on cucumis sativus radicles |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9323635/ https://www.ncbi.nlm.nih.gov/pubmed/35890440 http://dx.doi.org/10.3390/plants11141805 |
work_keys_str_mv | AT penamoranomararisteo insilicoconformationofthedrugcolchicineintotubulinmodelsandacutephytotoxicactivityoncucumissativusradicles AT jimenezperezjesus insilicoconformationofthedrugcolchicineintotubulinmodelsandacutephytotoxicactivityoncucumissativusradicles AT ceronromerolitzia insilicoconformationofthedrugcolchicineintotubulinmodelsandacutephytotoxicactivityoncucumissativusradicles AT rodriguezaguilarmaribel insilicoconformationofthedrugcolchicineintotubulinmodelsandacutephytotoxicactivityoncucumissativusradicles |