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Abstract Title:

Inhibitory effect of raspberry ketone onα-glucosidase: Docking simulation integrating inhibition kinetics.

Abstract Source:

Int J Biol Macromol. 2018 Feb 26 ;113:212-218. Epub 2018 Feb 26. PMID: 29477543

Abstract Author(s):

Shang-Ling Xiong, Li-Mei Yue, Gyu Tae Lim, Jun-Mo Yang, Jinhyuk Lee, Yong-Doo Park

Article Affiliation:

Shang-Ling Xiong

Abstract:

Inhibition ofα-glucosidase is directly associated with treatment of type 2 diabetes. In this regard, we conducted enzyme kinetics integrated with computational docking simulation to assess the inhibitory effect of raspberry ketone (RK) on α-glucosidase. RK bound to the active site of α-glucosidase and interacted with several key residues such as ASP68, TYR71, HIS111, PHE157, PHE158, PHE177, GLN181, ASP214, THR215, ASP349, ASP408, and ARG439, as detected by protein-ligand docking simulation. Subsequently, we confirmed the action of RK on α-glucosidase as the non-competitive type of inhibition in a reversible and rapidly binding manner. The relevant kinetic parameters were IC=6.17±0.46mM and K=7.939±0.211mM. Regarding the structure-activity relationship, the higher concentration of RK induced slight modulation of the shape of the active site as monitored by hydrophobic exposure. The tertiary conformational change was linked to RK inhibition, and mostly involved regional changes of the activesite. Our study provides insight into the functional role of RK due to its structural property of a hydroxyphenyl ring that interacts with the active site of α-glucosidase. We suggest that similar hydroxyphenyl ring compounds targeting the key residues of the active site might be potential α-glucosidase inhibitors.

Study Type : In Vitro Study
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