An experimental and computational investigation of the cyclopentene-containing peptide-derived compounds: focus on pseudo-cyclic motifs via intramolecular interactions.

DFT Hirshfeld surface cyclopentene energy frameworks modified amino acids single crystal

Journal

Royal Society open science
ISSN: 2054-5703
Titre abrégé: R Soc Open Sci
Pays: England
ID NLM: 101647528

Informations de publication

Date de publication:
Oct 2024
Historique:
received: 12 06 2024
revised: 12 08 2024
accepted: 15 08 2024
medline: 10 10 2024
pubmed: 10 10 2024
entrez: 10 10 2024
Statut: epublish

Résumé

Conformational flexibility is one of the main disadvantages of peptide-based compounds. We focus on their molecular 'chameleonicity' related to forming pseudo-cyclic motifs via modulation of weak intramolecular interactions. It is an appealing strategy for controlling equilibrium between the polar open and the nonpolar closed conformations. Within this context, we report here the crystal structure of the (

Identifiants

DOI: 10.1098/rsos.240962 PMID: 39386982 PMC: PMC11462612
pubmed: 39386982
doi: 10.1098/rsos.240962
pii: rsos240962
pmc: PMC11462612
doi:

Banques de données

figshare
['10.6084/m9.figshare.c.7458424']

Types de publication

Journal Article

Langues

eng

Pagination

40962

Informations de copyright

© 2024 The Author(s).

Déclaration de conflit d'intérêts

We declare we have no competing interests.

Auteurs

Joanna Bojarska (J)

Chemistry Department, Institute of Ecological and Inorganic Chemistry, Technical University of Lodz, 116 Zeromskiego St., Lodz 90-924, Poland.
ORCID: 0000-0001-9190-6913

Martin Breza (M)

Department of Physical Chemistry, Slovak Technical University, Radlinskeho 9, Bratislava SK-81237, Slovakia.

Paweł Borowiecki (P)

Laboratory of Biocatalysis and Biotransformation, Department of Drugs Technology and Biotechnology, Faculty of Chemistry, Warsaw University of Technology, 75 Koszykowa St., Warsaw 00-662, Poland.

Izabela D Madura (ID)

Faculty of Chemistry, Warsaw University of Technology, 3 Noakowskiego St., Warsaw 00-664, Poland.

Krzysztof Kaczmarek (K)

Institute of Organic Chemistry, Faculty of Chemistry, Lodz University of Technology, 116 Zeromskiego St., Lodz 90-924, Poland.

Zyta M Ziora (ZM)

Institute for Molecular Bioscience, The University of Queensland, St Lucia QLD 4072, Australia.

Wojciech M Wolf (WM)

Chemistry Department, Institute of Ecological and Inorganic Chemistry, Technical University of Lodz, 116 Zeromskiego St., Lodz 90-924, Poland.

Classifications MeSH