Molecular Docking analysis of the TNIK Receptor protein with a potential Inhibitor from the NPACT databas

It is of interest to design and develop efficient inhibitors to the TNIK protein target in Wnt signaling pathways in the context of colorectal cancer (CRC) using molecular docking models. We show data to support that a compound named aglafoline (methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy...

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Autores principales: Rosita, Arokiaraj Sherlin, Begum, Tajuddin Nargis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2020
Materias:
Research-Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7434960/
https://www.ncbi.nlm.nih.gov/pubmed/32831519
http://dx.doi.org/10.6026/97320630016387
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author Rosita, Arokiaraj Sherlin
Begum, Tajuddin Nargis
author_facet Rosita, Arokiaraj Sherlin
Begum, Tajuddin Nargis
author_sort Rosita, Arokiaraj Sherlin
collection PubMed
description It is of interest to design and develop efficient inhibitors to the TNIK protein target in Wnt signaling pathways in the context of colorectal cancer (CRC) using molecular docking models. We show data to support that a compound named aglafoline (methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H cyclopenta [b] [1] from the NPACT (Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database) database have optimal binding features with the TNIK receptor for further consideration in this context.
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spelling pubmed-74349602020-08-21 Molecular Docking analysis of the TNIK Receptor protein with a potential Inhibitor from the NPACT databas Rosita, Arokiaraj Sherlin Begum, Tajuddin Nargis Bioinformation Research-Article It is of interest to design and develop efficient inhibitors to the TNIK protein target in Wnt signaling pathways in the context of colorectal cancer (CRC) using molecular docking models. We show data to support that a compound named aglafoline (methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H cyclopenta [b] [1] from the NPACT (Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database) database have optimal binding features with the TNIK receptor for further consideration in this context. Biomedical Informatics 2020-05-31 /pmc/articles/PMC7434960/ /pubmed/32831519 http://dx.doi.org/10.6026/97320630016387 Text en © 2020 Biomedical Informatics http://creativecommons.org/licenses/by/3.0/ This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Research-Article
Rosita, Arokiaraj Sherlin
Begum, Tajuddin Nargis
Molecular Docking analysis of the TNIK Receptor protein with a potential Inhibitor from the NPACT databas
title Molecular Docking analysis of the TNIK Receptor protein with a potential Inhibitor from the NPACT databas
title_full Molecular Docking analysis of the TNIK Receptor protein with a potential Inhibitor from the NPACT databas
title_fullStr Molecular Docking analysis of the TNIK Receptor protein with a potential Inhibitor from the NPACT databas
title_full_unstemmed Molecular Docking analysis of the TNIK Receptor protein with a potential Inhibitor from the NPACT databas
title_short Molecular Docking analysis of the TNIK Receptor protein with a potential Inhibitor from the NPACT databas
title_sort molecular docking analysis of the tnik receptor protein with a potential inhibitor from the npact databas
topic Research-Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7434960/
https://www.ncbi.nlm.nih.gov/pubmed/32831519
http://dx.doi.org/10.6026/97320630016387
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