Conformational study of cyclo(1,5)-Ac-Pen-Arg-Gly-Asp-Cys-NH2 in water by NMR and molecular dynamics. |
| |
| Authors: | T J Siahaan S Chakrabarti D Vander Velde |
| |
| Institution: | Pharmaceutical Chemistry Department, University of Kansas, Lawrence 66045. |
| |
| 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. |
| |
| Keywords: | |
|
|
