PRELIMINARY INVESTIGATION INTO THE PURIFICATION, NMR ANALYSIS, AND MOLECULAR MODELING OF CHONDROITIN SULFATE EPITOPES

Electrophoretic methods are outlined for the rapid purification and an alysis of chondroitin sulphate oligosaccharides on a milligram scale. Isomeric impurities however, exist within specific sized oligosacchari des. Detailed H-1 and C-13 NMR data for the chondroitin sulphate disac charides Delta(4)HexA(1-3)GalNAc6SO(3)(-) and Delta(4)HexA(1-3)GalNAc4 SO(3)(-) (prepared from shark chondroitin sulphate) are reported. Two- dimensional NMR methods have been employed in the assignment of spectr a. Preliminary models of these disaccharides are proposed from molecul ar mechanics conformational searching and molecular dynamics procedure s. This study provides H-1 and C-13 NMR reference data which will be u seful in the investigation of larger chondroitin sulphate oligosacchar ides, such as those prepared by the electrophoretic methods mentioned above.