Evaluation of enantioresolution of (±)-catechin using electrokinetic chromatography and molecular docking
Sabela, Myalowenkosi Innocent
Gumede, Njabulo Joyfull
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This study involves the enantioresolution of (±) catechin with the highly sulphated beta cyclodextrin (HS-β-CD) as a chiral selector using capillary electrophoresis (CE). The purpose of this study was to be tter understand enantioresolution amongst host-guest interactions. Furthermore, molecular docking was carried out to elucidate the mechanism of the enantioselective separations of (±) catechin enantiomers obtained in Electrokinetic chroma tography (EKC). A large difference in the interaction energies observed between the two enantiomers represents significant enantiodifferentiation. Our results also suggest that the host-guest interactions between the phenyl ring of the ligand and the open cavity of the HS-β-CD are due mainly to hydrophobic interactions. Interestingly, the stronger interactions observed with (+)-catechin is consistent with the elution order observed in the CE experiments.
Sabela, M.I., Singh, P., Gumede, N.J., Bisetty, K. and Sagrado, S. 2012. Evaluation of Enantioresolution of (±)-Catechin using Electrokinetic Chromatography and Molecular Docking." Journal of Scientific Research in Pharmacy. 1(2): 1-4.