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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Detalles Bibliográficos
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
Descripción
Sumario: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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