Molecular Docking analysis of the TNIK Receptor protein with a potential Inhibitor from the NPACT database
Keywords: admet predictor, colorectal cancer, NPACT, TNIK, virtual screeningSoftware: ADMET Predictor®Publication: Biomed Informatics
Abstract
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.
By Arokiaraj Sherlin Rosita & Tajuddin Nargis Begum
