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Antiproliferative activity and interaction with proteins of N-cyclohexylacrylamide
N-cyclohexylacrylamıde (NCA), the synthesized compound, was evaluated for their cytotoxic activities against HeLa cancer cell line. Also, the current study has been analyzed by the use of molecular docking as protein-ligand interactions play a vital role in drug design. The docking study of NCA was...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9637753/ https://www.ncbi.nlm.nih.gov/pubmed/36353361 http://dx.doi.org/10.1016/j.sjbs.2020.04.030 |
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author | Çankaya, Nevin Yalçin, Serap |
author_facet | Çankaya, Nevin Yalçin, Serap |
author_sort | Çankaya, Nevin |
collection | PubMed |
description | N-cyclohexylacrylamıde (NCA), the synthesized compound, was evaluated for their cytotoxic activities against HeLa cancer cell line. Also, the current study has been analyzed by the use of molecular docking as protein-ligand interactions play a vital role in drug design. The docking study of NCA was performed with BCL-2, BCL-W, MCl-1, AKT, BRAF, CDK2, VEGFR, EGFR PARP1, CDK6 proteins. The 3D structures of proteins were obtained from the protein data bank and 3D structure of NCA compounds using GAUSSIAN. The in silico molecular docking results indicated that NCA compound can inhibit cancer-related proteins and can play a role as potential lead compounds for developing new drugs for cancer therapy with chemical modification. |
format | Online Article Text |
id | pubmed-9637753 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Elsevier |
record_format | MEDLINE/PubMed |
spelling | pubmed-96377532022-11-08 Antiproliferative activity and interaction with proteins of N-cyclohexylacrylamide Çankaya, Nevin Yalçin, Serap Saudi J Biol Sci Original Article N-cyclohexylacrylamıde (NCA), the synthesized compound, was evaluated for their cytotoxic activities against HeLa cancer cell line. Also, the current study has been analyzed by the use of molecular docking as protein-ligand interactions play a vital role in drug design. The docking study of NCA was performed with BCL-2, BCL-W, MCl-1, AKT, BRAF, CDK2, VEGFR, EGFR PARP1, CDK6 proteins. The 3D structures of proteins were obtained from the protein data bank and 3D structure of NCA compounds using GAUSSIAN. The in silico molecular docking results indicated that NCA compound can inhibit cancer-related proteins and can play a role as potential lead compounds for developing new drugs for cancer therapy with chemical modification. Elsevier 2022-11 2020-04-23 /pmc/articles/PMC9637753/ /pubmed/36353361 http://dx.doi.org/10.1016/j.sjbs.2020.04.030 Text en © 2022 Published by Elsevier B.V. on behalf of King Saud University. https://creativecommons.org/licenses/by-nc-nd/4.0/This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). |
spellingShingle | Original Article Çankaya, Nevin Yalçin, Serap Antiproliferative activity and interaction with proteins of N-cyclohexylacrylamide |
title | Antiproliferative activity and interaction with proteins of N-cyclohexylacrylamide |
title_full | Antiproliferative activity and interaction with proteins of N-cyclohexylacrylamide |
title_fullStr | Antiproliferative activity and interaction with proteins of N-cyclohexylacrylamide |
title_full_unstemmed | Antiproliferative activity and interaction with proteins of N-cyclohexylacrylamide |
title_short | Antiproliferative activity and interaction with proteins of N-cyclohexylacrylamide |
title_sort | antiproliferative activity and interaction with proteins of n-cyclohexylacrylamide |
topic | Original Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9637753/ https://www.ncbi.nlm.nih.gov/pubmed/36353361 http://dx.doi.org/10.1016/j.sjbs.2020.04.030 |
work_keys_str_mv | AT cankayanevin antiproliferativeactivityandinteractionwithproteinsofncyclohexylacrylamide AT yalcinserap antiproliferativeactivityandinteractionwithproteinsofncyclohexylacrylamide |