Table 1.
Amino acid sequences of mono-ORbIT and bi-ORbIT peptides with schematic representation of the peptide cyclizations.
| Sequence | Peptide | BFE (kcal/mol) |
|---|---|---|
| Monocyclic | ||
| GPIbα | 221QDNAENVYVWKQGVDVKAMTSNVASV246 | −35 ± 6 |
| Template peptide | H-QDNAENCYVWKQGVDVKAMTSNCAEE-OH Disulfide bond between Cys7 and Cys23 |
−62 ± 5 |
| Mono-ORbIT | H-DDNAENCYVWKQGDEVRAMRSNCAEE-OH Disulfide bond between Cys7 and Cys23 |
−76 ± 6 |
| Bicyclic | ||
| Botrocetin |
2070DVWNKCRF2077 2089DYYLIAEYEC2098C2113-T2114 |
- |
| GPIbα |
225ENVYVWK231 237KAMTS241 |
|
| Template peptide | Ac-CDVWNESAFDYYSIAEYECSTENCYVWEPSDTSC-OH Disulfide bond between Cys1 and Cys19 as well as Cys24 and Cys34 |
−76 ± 9 |
| Bi-ORbIT | Ac-CDVWNESAFDEYSIAESESSECNEYVDEPSYTSC-OH CLIPS(T3 *) connection between Cys1, Cys22, and Cys34 |
−81 ± 7 |
* T3 = 1,3,5-tris(bromoethyl)benzene.