Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1784595569083154432 |
---|---|
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. |
format | Online Article Text |
id | pubmed-8574190 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | The Scientific and Technological Research Council of Turkey |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT mammadovaaynura screeningofthesmallmoleculelibraryofmeinoxenablestheidentificationofanticancercompoundsinpathologicallydistinctcancers AT mermerarif screeningofthesmallmoleculelibraryofmeinoxenablestheidentificationofanticancercompoundsinpathologicallydistinctcancers AT kocabasfatih screeningofthesmallmoleculelibraryofmeinoxenablestheidentificationofanticancercompoundsinpathologicallydistinctcancers |