De Novo Design, Synthesis, and Biological Activities of High-Affinity and Selective Non-Peptide Agonists of the δ-Opioid Receptor‖

1998 ◽  
Vol 41 (24) ◽  
pp. 4767-4776 ◽  
Author(s):  
Subo Liao ◽  
Josue Alfaro-Lopez ◽  
Mark D. Shenderovich ◽  
Keiko Hosohata ◽  
Jun Lin ◽  
...  
Keyword(s):  
Opioid Receptor ◽  
De Novo ◽  
Biological Activities ◽  
De Novo Design ◽  
Design Synthesis ◽  
High Affinity ◽  
Δ Opioid Receptor

scholarly journals Design, Synthesis and Functional Analysis of Cyclic Opioid Peptides with Dmt-Tic Pharmacophore

Molecules ◽  
2020 ◽  
Vol 25 (18) ◽  
pp. 4260
Author(s):  
Arijit Sarkar ◽  
Anna Adamska-Bartlomiejczyk ◽  
Justyna Piekielna-Ciesielska ◽  
Karol Wtorek ◽  
Alicja Kluczyk ◽  
...  
Keyword(s):  
Opioid Receptor ◽  
Cyclic Peptides ◽  
Pain Perception ◽  
Three Dimensional ◽  
Spatial Arrangement ◽  
Docking Studies ◽  
Structural Determinants ◽  
Design Synthesis ◽  
High Affinity ◽  
Δ Opioid Receptor

The opioid receptors are members of the G-protein-coupled receptor (GPCR) family and are known to modulate a variety of biological functions, including pain perception. Despite considerable advances, the mechanisms by which opioid agonists and antagonists interact with their receptors and exert their effect are still not completely understood. In this report, six new hybrids of the Dmt-Tic pharmacophore and cyclic peptides, which were shown before to have a high affinity for the µ-opioid receptor (MOR) were synthesized and characterized pharmacologically in calcium mobilization functional assays. All obtained ligands turned out to be selective antagonists of the δ-opioid receptor (DOR) and did not activate or block the MOR. The three-dimensional structural determinants responsible for the DOR antagonist properties of these analogs were further investigated by docking studies. The results indicate that these compounds attach to the DOR in a slightly different orientation with respect to the Dmt-Tic pharmacophore than Dmt-TicΨ[CH2-NH]Phe-Phe-NH2 (DIPP-NH2[Ψ]), a prototypical DOR antagonist peptide. Key pharmacophoric contacts between the DOR and the ligands were maintained through an analogous spatial arrangement of pharmacophores, which could provide an explanation for the predicted high-affinity binding and the experimentally observed functional properties of the novel synthetic ligands.

Artificial Proteins: De novo Design, Synthesis and Solid State Properties

1997 ◽  
pp. 61-99 ◽  
Author(s):  
Jane G. Tirrell ◽  
David A. Tirrell ◽  
Maurille J. Fournier ◽  
Thomas L. Mason
Keyword(s):  
Solid State ◽  
De Novo ◽  
De Novo Design ◽  
Design Synthesis ◽  
Artificial Proteins

scholarly journals Inside Cover: De Novo Design, Synthesis and Characterisation of MP3, A New Catalytic Four-Helix Bundle Hemeprotein (Chem. Eur. J. 50/2012)

2012 ◽  
Vol 18 (50) ◽  
pp. 15890-15890
Author(s):  
Marina Faiella ◽  
Ornella Maglio ◽  
Flavia Nastri ◽  
Angela Lombardi ◽  
Liliana Lista ◽  
...  
Keyword(s):  
De Novo ◽  
De Novo Design ◽  
Design Synthesis ◽  
Helix Bundle ◽  
Four Helix Bundle

scholarly journals Computational de novo design of antibodies binding to a peptide with high affinity

2017 ◽  
Vol 114 (6) ◽  
pp. 1331-1342 ◽  
Author(s):  
Venkata Giridhar Poosarla ◽  
Tong Li ◽  
Boon Chong Goh ◽  
Klaus Schulten ◽  
Thomas K. Wood ◽  
...  
Keyword(s):  
De Novo ◽  
De Novo Design ◽  
High Affinity

ChemInform Abstract: De Novo Design, Synthesis, and in vitro Evaluation of Inhibitors for Prokaryotic tRNA-Guanine Transglycosylase: A Dramatic Sulfur Effect on Binding Affinity.

ChemInform ◽  
2010 ◽  
Vol 33 (22) ◽  
pp. no-no
Author(s):  
Emmanuel A. Meyer ◽  
Ruth Brenk ◽  
Ronald K. Castellano ◽  
Maya Furler ◽  
Gerhard Klebe ◽  
...  
Keyword(s):  
Binding Affinity ◽  
De Novo ◽  
De Novo Design ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
Sulfur Effect
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