Docking Evaluation of Catechin and its Derivatives on Fat Mass and Obesity-Associated (FTO) Protein for Anti-Obesity Agent

Tony Sumaryada; Renti Efraim Marimpola Simamora; Laksmi Ambarsari

doi:10.7324/JAPS.2018.8810

Abstract

In this paper, we report the docking analysis and performance of catechin and its derivatives in inhibiting the FTO (Fat mass and obesity-associated) protein for controlling the obesity problem. The results show that Arg-52 and Tyr-39 residues play role in hydrogen binding, while Trp-42, Pro-47, and Ile-50 play role in hydrophobic interactions between ligands and the FTO enzyme. All catechin and its derivatives, except epicatechin, show a promising potential as FTO inhibitor as shown by their binding affinity (ΔG) values which are lower than the binding affinity of the patented drug, orlistat (−6.2 kCal/mol). The gallocatechin compound was found to be the best FTO inhibitor with the binding affinity of ΔG = −7.70 kCal/mol and the binding site similarity to orlistat of 63.6%.

Keyword: Catechin derivatives green tea FTO protein obesity molecular docking.

Citation:

Sumaryada T, Simamora REM, Ambarsari L. Docking Evaluation of Catechin and its Derivatives on Fat Mass and Obesity-Associated (FTO) Protein For Anti-Obesity Agent. J App Pharm Sci, 2018; 8(08): 063-068.

Copyright: © The Author(s). This is an open-access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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