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Conformational study of cyclo(1,5)-Ac-Pen-Arg-Gly-Asp-Cys-NH2 in water by NMR and molecular dynamics
T J Siahaan1, S Chakrabarti, D Vander Velde
1Pharmaceutical Chemistry Department, University of Kansas, Lawrence 66045.
Biochemical and Biophysical Research Communications
|September 16, 1992
Abstract:
Cyclo(1,5)-Ac-Pen-Arg-Gly-Asp-Cys-NH2 (3) is a potent inhibitor of platelet aggregation. Nuclear magnetic resonance (NMR) and restrained molecular dynamics were used to study the conformations of 3. Elucidation of RGD conformations in 3 will increase the understanding of interaction between the RGD-sequence with GPIIb/IIIa.