Published July 6, 2026
| Version v1
Dataset
Open
D-AA [Arg¹⁴ Lys¹⁵]N/OFQ(1-15)-NH$_2$ Analogues Molecular Dynamics Data
Authors/Creators
-
1.
University of Ferrara
Description
Molecular Dynamics Data for D-Amino Acid [Arg¹⁴ Lys¹⁵]N/OFQ(1–15)-NH₂ analogues
Each folder contains the molecular dynamics topologies and trajectories (MD_Traj), as well as all input files and scripts required to reproduce the simulations (MD_Input).
- Reference: FGGFTGARKSARKRK-NH₂
- 1a: FGGFTGARKSARKRk-NH₂
- 1b: FGGFTGARKSARKrk-NH₂
- 1c: FGGFTGARKSARkrk-NH₂
- 1d: FGGFTGARKSArkrk-NH₂
- 1e: FGGFTGARKSarkrk-NH₂
- 1f: FGGFTGARKsarkrk-NH₂
- 1g: FGGFTGARksarkrk-NH₂
- 1h: FGGFTGArksarkrk-NH₂
- 1i: FGGFTGarksarkrk-NH₂
This material is related to the following publication:
Design of New Potent, Selective, and Long-Acting NOP Receptor Agonists through Multiple Sequential d-Amino Acid Substitutions of [Arg14 Lys15]N/OFQ(1–15)-NH2
Chiara Sturaro#, Alessandra Rizzo#, Erika Morrone, Erika Marzola, Pietro Pola, Alessia Frezza, Michela Argentieri, Federica Agosta, Antonella Ciancetta, Delia Preti, Salvatore Pacifico, Valentina Albanese, Giulio Meneguzzo, Davide Malfacini, Chiara Ruzza*, Girolamo Calò, and Remo Guerrini
Journal of Medicinal Chemistry (2026); DOI: https://doi.org/10.1021/acs.jmedchem.6c01281
Files
1a.zip
Files
(774.5 MB)
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md5:86ea9d859242c1a9c79f0a988c60d66b
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md5:4541ec0321e8d64f138be33c7a4c5330
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md5:94b2611dcede86a5d7b7e4cf351dbe26
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