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Title: Analytical evaluation of steviol glycosides by capillary electrophoresis supported with molecular docking studies
Authors: Ayyappa, Bathinapatla 
Kanchi, Suvardhan 
Singh, Parvesh 
Dovey, Martin
Sabela, Myalowenkosi Innocent 
Bisetty, Krishna 
Keywords: Steviol glycosides (rebaudioside-A, stevioside);Heptakis 2,3,6-tri-o-methyl betacyclodextrin (TM-b-CD);Capillary electrophoresis (CE);Molecular docking (MD)
Issue Date: 5-May-2014
Publisher: Iranian Chemical Society
Source: Ayyappa, B.; Kanchi, S.; Singh, P.; Sabela, M. I.; Dovey, M. and Bisetty, K. 2014. Analytical evaluation of steviol glycosides by capillary electrophoresis supported with molecular docking studies. Journal of the Iranian Chemical Society, 12 (1): 127-136.
Journal: Journal of the Iranian Chemical Society (Online) 
This paper reports on a newly developed elec-trokinetic chromatographic method for the simultaneous separation and determination of steviol glycosides in real stevia samples by capillary electrophoresis and supported by molecular docking studies. Our results obtained using 30-mM heptakis-(2,3,6-tri-o-methyl betacyclodextrin) as a separating agent, suggest that at optimum experimental conditions the detection limits of 2.017 9 10-5 and 7.386 9 10-5 M and relative standard deviations (n = 5) of 1.10 and 1.17 were obtained for rebaudioside-A and stevioside, respectively. In addition, the molecular docking studies explained to a certain extent why the separation was successful. The calculated binding free energy results for the rebaudioside-A and stevioside complexes formed with the separating agent showed that although both ligands penetrated deeply into the hydrophobic cavity of the sep-arating agent, the presence of additional hydrogen bonding in the case of stevioside is probably responsible for its stronger binding affinity than that of rebaudioside-A.
ISSN: 1735-2428
Appears in Collections:Research Publications (Applied Sciences)

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