Influence of β-Alanine on Hairpin Polyamide Orientation in the DNA Minor Groove
✍ Scribed by Victor C. Rucker; Christian Melander; Peter B. Dervan
- Publisher
- John Wiley and Sons
- Year
- 2003
- Tongue
- German
- Weight
- 398 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0018-019X
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✦ Synopsis
Abstract
Antiparallel polyamides containing 1__H__‐pyrrole, 1__H__‐imidazole, and 3‐hydroxy‐1__H__‐pyrrole amino acids display a preference for minor‐groove binding oriented NC with respect to the 5′‐3′ direction of the DNA helix. We find that replacement of a central Py/Py pair with a β/β pair within a ten‐ring hairpin relaxes the orientation preference and, for some DNA sequences, causes the polyamide to prefer the opposite CN orientation. Substitution of the achiral γ‐aminobutanoic acid (γ) with either (R)(or S)‐2‐(acetylamino)‐4‐aminobutanoic acid moderates the orientation preference of the 2‐β‐2‐hairpin.
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## Abstract The hydration shell of several conformations of the polynucleotides poly(dA) · poly(dT), poly (dA) · poly (dU), and poly (dA‐dl) · poly (dT‐dC) has been simulated using the Monte Carlo method (Metropolis sampling). Calculations have shown that the structure of the hydration shell of the