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

Authors: Rosita AS, Begum TN
Publication: Biomed Informatics
Keywords: admet predictor, colorectal cancer, NPACT, TNIK, virtual screening
Software: ADMET Predictor®

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