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Screening of the small molecule library of Meinox enables the identification of anticancer compounds in pathologically distinct cancers

Small molecules are widely used for the modulation of the molecular basis of diseases. This makes them the perfect tool for discovering and developing new therapeutics. In this work, we have established a library of small molecules in house and characterized its molecular and druglike properties. We...

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Autores principales: MAMMADOVA, Aynura, MERMER, Arif, KOCABAŞ, Fatih
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Scientific and Technological Research Council of Turkey 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8574190/
https://www.ncbi.nlm.nih.gov/pubmed/34803460
http://dx.doi.org/10.3906/biy-2104-14
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author MAMMADOVA, Aynura
MERMER, Arif
KOCABAŞ, Fatih
author_facet MAMMADOVA, Aynura
MERMER, Arif
KOCABAŞ, Fatih
author_sort MAMMADOVA, Aynura
collection PubMed
description Small molecules are widely used for the modulation of the molecular basis of diseases. This makes them the perfect tool for discovering and developing new therapeutics. In this work, we have established a library of small molecules in house and characterized its molecular and druglike properties. We have shown that most small molecules have molecular weights less than 450. They have pharmaceutically relevant cLogP, cLogS, and druglikeness value distributions. In addition, Meinox’s small molecule library contained small molecules with polar surface areas that are less than 60 square angstroms, suggesting their potent ability to cross the blood-brain barrier. Meinox’s small molecule library was also tested in vitro for pathologically distinct forms of cancer, including pancreatic adenocarcinoma PANC1, breast carcinoma MCF7, and lymphoblastic carcinoma RS4-11 cell lines. Analysis of this library at a dose of 1 μM allowed the discovery of potent, specific or broadly active anticancer compounds against pathologically distinct cancers. This study shows that in vitro analysis of different cancers or other phenotypic assays with Meinox small molecule library may generate novel and potent bioassay-specific compounds.
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spelling pubmed-85741902021-11-18 Screening of the small molecule library of Meinox enables the identification of anticancer compounds in pathologically distinct cancers MAMMADOVA, Aynura MERMER, Arif KOCABAŞ, Fatih Turk J Biol Article Small molecules are widely used for the modulation of the molecular basis of diseases. This makes them the perfect tool for discovering and developing new therapeutics. In this work, we have established a library of small molecules in house and characterized its molecular and druglike properties. We have shown that most small molecules have molecular weights less than 450. They have pharmaceutically relevant cLogP, cLogS, and druglikeness value distributions. In addition, Meinox’s small molecule library contained small molecules with polar surface areas that are less than 60 square angstroms, suggesting their potent ability to cross the blood-brain barrier. Meinox’s small molecule library was also tested in vitro for pathologically distinct forms of cancer, including pancreatic adenocarcinoma PANC1, breast carcinoma MCF7, and lymphoblastic carcinoma RS4-11 cell lines. Analysis of this library at a dose of 1 μM allowed the discovery of potent, specific or broadly active anticancer compounds against pathologically distinct cancers. This study shows that in vitro analysis of different cancers or other phenotypic assays with Meinox small molecule library may generate novel and potent bioassay-specific compounds. The Scientific and Technological Research Council of Turkey 2021-10-18 /pmc/articles/PMC8574190/ /pubmed/34803460 http://dx.doi.org/10.3906/biy-2104-14 Text en Copyright © 2021 The Author(s) https://creativecommons.org/licenses/by/4.0/This article is distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) ), which permits unrestricted use and redistribution provided that the original author and source are credited.
spellingShingle Article
MAMMADOVA, Aynura
MERMER, Arif
KOCABAŞ, Fatih
Screening of the small molecule library of Meinox enables the identification of anticancer compounds in pathologically distinct cancers
title Screening of the small molecule library of Meinox enables the identification of anticancer compounds in pathologically distinct cancers
title_full Screening of the small molecule library of Meinox enables the identification of anticancer compounds in pathologically distinct cancers
title_fullStr Screening of the small molecule library of Meinox enables the identification of anticancer compounds in pathologically distinct cancers
title_full_unstemmed Screening of the small molecule library of Meinox enables the identification of anticancer compounds in pathologically distinct cancers
title_short Screening of the small molecule library of Meinox enables the identification of anticancer compounds in pathologically distinct cancers
title_sort screening of the small molecule library of meinox enables the identification of anticancer compounds in pathologically distinct cancers
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8574190/
https://www.ncbi.nlm.nih.gov/pubmed/34803460
http://dx.doi.org/10.3906/biy-2104-14
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