Colorectal Cancer Vrs Glycyrrhiza glabra - Computational Docking & DFT Analysis vis-à-vis TNIK Receptor Protein


Authors : Chandra Sekhar Tripathy; Dr. Santosh Kumar Behera; Dr. Anil Kumar; Dr. Santosh Kumar Panda; Dr. GauravGiri; Muhammad Akram; Dr. AsadollahAsadi

Volume/Issue : Volume 7 - 2022, Issue 7 - July

Google Scholar : https://bit.ly/3IIfn9N

Scribd : https://bit.ly/3PDWqIZ

DOI : https://doi.org/10.5281/zenodo.6865162

Colorectal cancer (CRC) is a type that develops in the colon to anus segment of the elementary canal. Is painful; acutely debilitating & fatality becausing. Age; diet, lifestyle habits; occupational stress; agrometeorology; bacteriums; virus have been adduced as risk factors and a small percentage being attributed to genetics etc.,. CRC is now a global threat. However, physiologically the protein TNIK (TRAF2 And NCK Interacting Kinase) is found to be widely associated with CRC and is also over expressed. Glycyrrhizaglabra is an herbal plant with lots of known medicinal properties. Glycyrrhizaglabra has 45 known phyto-compounds (PCs). In the present investigation all the 45 PCs have been put to in silico processes including docking and DFT (Density Functional Theory) analysis to find out the PCs that best stop over-expression of the TNIK protein in colorectal cancer. Glabroiso-flavanone B and Glabridin are found to be champion molecules of this plant against CRCs. Phytos are natural source hence are peerless in drug discovery; functional food and in synergistic therapeutics.

Keywords : TNIK (TRAF2 And NCK Interacting Kinase), Docking, DFT, in silico, Wnt pathway.

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