Solution structure of a biologically active cyclic LDV peptide analogue containing a type II′β‐turn mimetic
- 1 June 1996
- journal article
- Published by Wiley in International Journal of Peptide and Protein Research
- Vol. 47 (6) , 427-436
- https://doi.org/10.1111/j.1399-3011.1996.tb01093.x
Abstract
The solution structure of cyclo-[Gly-Leu-Asp-Val-BTD] (BTD=β-turn dipeptide) has been determined by two-dimensional 1H-NMR (nuclear magnetic resonance) spectroscopy and systematic conformational searching combined with molecular dynamics studies. The structure contains two hydrogen bonds between the Gly and Val residues, and a type I β-turn with Leu and Asp at the (i+ 1) and (i+ 2) positions of the turn. The cyclic compound shows activity in a scintillation proximity assay (SPA) for the inhibition of the interaction between the integrin α4β1 and vascular cell adhesion molecule-1 (VCAM-1). The structure-activity relationship of the LDV sequence is discussed. © Munksgaard 1996.Keywords
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