6FCE

NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors

6FCE の概要

• エントリーDOI: 10.2210/pdb6fce/pdb
• NMR情報: BMRB: 34222
• 分子名称: ACP-HIS-DPHE-ARG-TRP-ASP-NH2 (1 entity in total)
• 機能のキーワード: melanocortin, peptidomimetics, amino acid, dialkylated, de novo protein
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 870.98

構造登録者

Brancaccio, D.,Carotenuto, A.,Grieco, P.,Merlino, F.,Zhou, Y.,Cai, M.,Yousif, A.M.,Di Maro, S.,Novellino, E.,Hruby, V.J. (登録日: 2017-12-20, 公開日: 2018-04-25, 最終更新日: 2024-10-16)

主引用文献

Merlino, F.,Zhou, Y.,Cai, M.,Carotenuto, A.,Yousif, A.M.,Brancaccio, D.,Di Maro, S.,Zappavigna, S.,Limatola, A.,Novellino, E.,Grieco, P.,Hruby, V.J.
Development of Macrocyclic Peptidomimetics Containing Constrained alpha , alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors.
J. Med. Chem., 61:4263-4269, 2018

PubMed Abstract: We report the development of macrocyclic melanocortin derivatives of MT-II and SHU-9119, achieved by modifying the cycle dimension and incorporating constrained amino acids in ring-closing. This study culminated in the discovery of novel agonists/antagonists with an unprecedented activity profile by adding pieces to the puzzle of the melanocortin receptor selectivity. Finally, the resulting 19- and 20-membered rings represent a suitable frame for the design of further therapeutic ligands as selective modulators of the melanocortin system.

PubMed: 29660981
DOI: 10.1021/acs.jmedchem.8b00488

実験手法

SOLUTION NMR