Title

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

Authors

Arokiaraj Sherlin Rosita* & Tajuddin Nargis Begum*

Affiliation

PG and Research Dept. of Biotechnology, Jamal Mohamed College (Autonomous), Affiliated to Bharathidasan University, Tiruchirappalli, India.

Email

Tajuddin Nargis Begum -*nargisalmaas@gmail.com, Arokiaraj Sherlin Rosita - sherlybif@gmail.com; *Corresponding author

Article Type

Research Article

Date

Received April 5, 2020; Revised April 15, 2020; Accepted April 16, 2020; Published May 31, 2020

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.

Keywords

NPACT, TNIK, colorectal cancer, virtual screening

Citation

Sherlin Rosita & Nargis Begum, Bioinformation 16(5): 387-392 (2020)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

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.