Cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide—a novel topoisomerase II inhibitor

The preliminary cytotoxic effect of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide hydrochloride (1)—a potent topoisomerase II inhibitor—was measured using a MTT assay. It was found that the compound decreased the number of viable cells in both estrogen receptor-positive MCF-7 a...

Descripción completa

Detalles Bibliográficos
Autores principales: Siwek, Agata, Stączek, Paweł, Wujec, Monika, Bielawski, Krzysztof, Bielawska, Anna, Paneth, Piotr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer-Verlag 2012
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3578725/
https://www.ncbi.nlm.nih.gov/pubmed/23187686
http://dx.doi.org/10.1007/s00894-012-1679-6
_version_ 1782260026073677824
author Siwek, Agata
Stączek, Paweł
Wujec, Monika
Bielawski, Krzysztof
Bielawska, Anna
Paneth, Piotr
author_facet Siwek, Agata
Stączek, Paweł
Wujec, Monika
Bielawski, Krzysztof
Bielawska, Anna
Paneth, Piotr
author_sort Siwek, Agata
collection PubMed
description The preliminary cytotoxic effect of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide hydrochloride (1)—a potent topoisomerase II inhibitor—was measured using a MTT assay. It was found that the compound decreased the number of viable cells in both estrogen receptor-positive MCF-7 and estrogen receptor-negative MDA-MB-231breast cancer cells, with IC(50) values of 146 ± 2 and 132 ± 2 μM, respectively. To clarify the molecular basis of the inhibitory action of 1, molecular docking studies were carried out. The results suggest that 1 targets the ATP binding pocket. [Figure: see text] ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s00894-012-1679-6) contains supplementary material, which is available to authorized users.
format Online
Article
Text
id pubmed-3578725
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher Springer-Verlag
record_format MEDLINE/PubMed
spelling pubmed-35787252013-02-26 Cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide—a novel topoisomerase II inhibitor Siwek, Agata Stączek, Paweł Wujec, Monika Bielawski, Krzysztof Bielawska, Anna Paneth, Piotr J Mol Model Original Paper The preliminary cytotoxic effect of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide hydrochloride (1)—a potent topoisomerase II inhibitor—was measured using a MTT assay. It was found that the compound decreased the number of viable cells in both estrogen receptor-positive MCF-7 and estrogen receptor-negative MDA-MB-231breast cancer cells, with IC(50) values of 146 ± 2 and 132 ± 2 μM, respectively. To clarify the molecular basis of the inhibitory action of 1, molecular docking studies were carried out. The results suggest that 1 targets the ATP binding pocket. [Figure: see text] ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s00894-012-1679-6) contains supplementary material, which is available to authorized users. Springer-Verlag 2012-11-28 2013 /pmc/articles/PMC3578725/ /pubmed/23187686 http://dx.doi.org/10.1007/s00894-012-1679-6 Text en © The Author(s) 2012 https://creativecommons.org/licenses/by/2.0/ Open AccessThis article is distributed under the terms of the Creative Commons Attribution License which permits any use, distribution, and reproduction in any medium, provided the original author(s) and the source are credited.
spellingShingle Original Paper
Siwek, Agata
Stączek, Paweł
Wujec, Monika
Bielawski, Krzysztof
Bielawska, Anna
Paneth, Piotr
Cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide—a novel topoisomerase II inhibitor
title Cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide—a novel topoisomerase II inhibitor
title_full Cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide—a novel topoisomerase II inhibitor
title_fullStr Cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide—a novel topoisomerase II inhibitor
title_full_unstemmed Cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide—a novel topoisomerase II inhibitor
title_short Cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide—a novel topoisomerase II inhibitor
title_sort cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide—a novel topoisomerase ii inhibitor
topic Original Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3578725/
https://www.ncbi.nlm.nih.gov/pubmed/23187686
http://dx.doi.org/10.1007/s00894-012-1679-6
work_keys_str_mv AT siwekagata cytotoxiceffectandmoleculardockingof4ethoxycarbonylmethyl1piperidin4ylcarbonylthiosemicarbazideanoveltopoisomeraseiiinhibitor
AT staczekpaweł cytotoxiceffectandmoleculardockingof4ethoxycarbonylmethyl1piperidin4ylcarbonylthiosemicarbazideanoveltopoisomeraseiiinhibitor
AT wujecmonika cytotoxiceffectandmoleculardockingof4ethoxycarbonylmethyl1piperidin4ylcarbonylthiosemicarbazideanoveltopoisomeraseiiinhibitor
AT bielawskikrzysztof cytotoxiceffectandmoleculardockingof4ethoxycarbonylmethyl1piperidin4ylcarbonylthiosemicarbazideanoveltopoisomeraseiiinhibitor
AT bielawskaanna cytotoxiceffectandmoleculardockingof4ethoxycarbonylmethyl1piperidin4ylcarbonylthiosemicarbazideanoveltopoisomeraseiiinhibitor
AT panethpiotr cytotoxiceffectandmoleculardockingof4ethoxycarbonylmethyl1piperidin4ylcarbonylthiosemicarbazideanoveltopoisomeraseiiinhibitor

Ejemplares similares