In Silico Studies towards Exploring Potential Anticancer Activity of Selected Flavonoids Against TNF-Α Induced Protein 8

Author(s): Meghna Somayajulu Kolluri, Shravan Kumar Gunda*, Mahmood Shaik

Abstract: TNFAIP8 is a cytosolic anti-apoptotic and oncogenic protein found mainly and cancerous cells. It contributes to carcinogenesis by promoting proliferation and autophagy, thus improving cancer cell survival. Therefore, it is a suitable therapeutic target for cancer treatments and gene therapy. In this study, 3-Dimensional structure of Tumor necrosis factor alpha-induced protein 8 from Homo sapiens was described by Homology modeling method based on the template protein of Chain A, Crystal Structure of Tipe2 from Homo sapiens and selected natural flavonoids as ligands were docked to the active site of modelled protein. The quality of the 3-Dimensional structure of the generated model was confirmed by various validation tools. The generated model exhibited 96.3% of amino acid residues in most favored region. Molecular docking study showed that the all the compounds exhibited good binding energy than already existing drugs. Compound 7-O-methyl naringenin exhibited highest binding energy of -6.36 Kcal/mol.

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