Do benzodiazepines mimic reverse-turn structures?

  title={Do benzodiazepines mimic reverse-turn structures?},
  author={Masayuki Hata and Garland R. Marshall},
  journal={Journal of Computer-Aided Molecular Design},
  • M. Hata, G. Marshall
  • Published 2006
  • Chemistry, Medicine, Computer Science
  • Journal of Computer-Aided Molecular Design
The role of benzodiazepine derivatives (BZD) as a privileged scaffold that mimics β-turn structures (Ripka et al. (1993) Tetrahedron 49:3593–3608) in peptide/protein recognition was reexamined in detail. Stable BZD ring conformers were determined with MM3, and experimental reverse-turn structures were extracted from the basis set of protein crystal structures previously defined by Ripka et al. Ideal β-turns were also modeled and similarly compared with BZD conformers. Huge numbers of conformers… Expand
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