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Cytotoxic Activity against A549 Human Lung Cancer Cells and ADMET Analysis of New Pyrazole Derivatives

Two new pyrazole derivatives, namely compound 1 and compound 2, have been synthesized, and their biological activity has been evaluated. Monocrystals of the obtained compounds were thoroughly investigated using single-crystal X-ray diffraction analysis, FTIR spectroscopy, and NMR spectroscopy. The r...

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Autores principales: Czylkowska, Agnieszka, Szczesio, Małgorzata, Raducka, Anita, Rogalewicz, Bartłomiej, Kręcisz, Paweł, Czarnecka, Kamila, Szymański, Paweł, Pitucha, Monika, Pawlak, Tomasz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8269030/
https://www.ncbi.nlm.nih.gov/pubmed/34206582
http://dx.doi.org/10.3390/ijms22136692
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author Czylkowska, Agnieszka
Szczesio, Małgorzata
Raducka, Anita
Rogalewicz, Bartłomiej
Kręcisz, Paweł
Czarnecka, Kamila
Szymański, Paweł
Pitucha, Monika
Pawlak, Tomasz
author_facet Czylkowska, Agnieszka
Szczesio, Małgorzata
Raducka, Anita
Rogalewicz, Bartłomiej
Kręcisz, Paweł
Czarnecka, Kamila
Szymański, Paweł
Pitucha, Monika
Pawlak, Tomasz
author_sort Czylkowska, Agnieszka
collection PubMed
description Two new pyrazole derivatives, namely compound 1 and compound 2, have been synthesized, and their biological activity has been evaluated. Monocrystals of the obtained compounds were thoroughly investigated using single-crystal X-ray diffraction analysis, FTIR spectroscopy, and NMR spectroscopy. The results gathered from all three techniques are in good agreement, provide complete information about the structures of 1 and 2, and confirm their high purity. Thermal properties were studied using thermogravimetric analysis; both 1 and 2 are stable at room temperature. In order to better characterize 1 and 2, some physicochemical and biological properties have been evaluated using ADMET analysis. The cytotoxic activity of both compounds was determined using the MTT assay on the A549 cell line in comparison with etoposide. It was determined that compound 2 was effective in the inhibition of human lung adenocarcinoma cell growth and may be a promising compound for the treatment of lung cancer.
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spelling pubmed-82690302021-07-10 Cytotoxic Activity against A549 Human Lung Cancer Cells and ADMET Analysis of New Pyrazole Derivatives Czylkowska, Agnieszka Szczesio, Małgorzata Raducka, Anita Rogalewicz, Bartłomiej Kręcisz, Paweł Czarnecka, Kamila Szymański, Paweł Pitucha, Monika Pawlak, Tomasz Int J Mol Sci Article Two new pyrazole derivatives, namely compound 1 and compound 2, have been synthesized, and their biological activity has been evaluated. Monocrystals of the obtained compounds were thoroughly investigated using single-crystal X-ray diffraction analysis, FTIR spectroscopy, and NMR spectroscopy. The results gathered from all three techniques are in good agreement, provide complete information about the structures of 1 and 2, and confirm their high purity. Thermal properties were studied using thermogravimetric analysis; both 1 and 2 are stable at room temperature. In order to better characterize 1 and 2, some physicochemical and biological properties have been evaluated using ADMET analysis. The cytotoxic activity of both compounds was determined using the MTT assay on the A549 cell line in comparison with etoposide. It was determined that compound 2 was effective in the inhibition of human lung adenocarcinoma cell growth and may be a promising compound for the treatment of lung cancer. MDPI 2021-06-22 /pmc/articles/PMC8269030/ /pubmed/34206582 http://dx.doi.org/10.3390/ijms22136692 Text en © 2021 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
Czylkowska, Agnieszka
Szczesio, Małgorzata
Raducka, Anita
Rogalewicz, Bartłomiej
Kręcisz, Paweł
Czarnecka, Kamila
Szymański, Paweł
Pitucha, Monika
Pawlak, Tomasz
Cytotoxic Activity against A549 Human Lung Cancer Cells and ADMET Analysis of New Pyrazole Derivatives
title Cytotoxic Activity against A549 Human Lung Cancer Cells and ADMET Analysis of New Pyrazole Derivatives
title_full Cytotoxic Activity against A549 Human Lung Cancer Cells and ADMET Analysis of New Pyrazole Derivatives
title_fullStr Cytotoxic Activity against A549 Human Lung Cancer Cells and ADMET Analysis of New Pyrazole Derivatives
title_full_unstemmed Cytotoxic Activity against A549 Human Lung Cancer Cells and ADMET Analysis of New Pyrazole Derivatives
title_short Cytotoxic Activity against A549 Human Lung Cancer Cells and ADMET Analysis of New Pyrazole Derivatives
title_sort cytotoxic activity against a549 human lung cancer cells and admet analysis of new pyrazole derivatives
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8269030/
https://www.ncbi.nlm.nih.gov/pubmed/34206582
http://dx.doi.org/10.3390/ijms22136692
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