5I8X

Bicyclic antimibrocial peptides

5I8X の概要

• エントリーDOI: 10.2210/pdb5i8x/pdb
• 分子名称: Fucose-binding lectin, DLS-LYS-CYS-LYS-LEU-CYS-LYS-LYS-NH2, 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, ... (5 entities in total)
• 機能のキーワード: bicycle, antimicrobial peptide, pseudomonas aeruginosa, biofilm, sugar binding protein
• 由来する生物種: Pseudomonas aeruginosa; 詳細
• タンパク質・核酸の鎖数: 5
• 化学式量合計: 49132.63

構造登録者

Di Bonaventura, I.,Jin, X.,Visini, R.,Michaud, G.,Robadey, M.,Koehler, T.,van Delden, C.,Stocker, A.,Darbre, T.,Reymond, J.-L. (登録日: 2016-02-19, 公開日: 2017-08-23, 最終更新日: 2024-01-10)

主引用文献

Di Bonaventura, I.,Jin, X.,Visini, R.,Probst, D.,Javor, S.,Gan, B.H.,Michaud, G.,Natalello, A.,Doglia, S.M.,Kohler, T.,van Delden, C.,Stocker, A.,Darbre, T.,Reymond, J.L.
Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8:6784-6798, 2017

PubMed Abstract: Herein we report the discovery of antimicrobial bridged bicyclic peptides (AMBPs) active against , a highly problematic Gram negative bacterium in the hospital environment. Two of these AMBPs show strong biofilm inhibition and dispersal activity and enhance the activity of polymyxin, currently a last resort antibiotic against which resistance is emerging. To discover our AMBPs we used the concept of chemical space, which is well known in the area of small molecule drug discovery, to define a small number of test compounds for synthesis and experimental evaluation. Our chemical space was calculated using 2DP, a new topological shape and pharmacophore fingerprint for peptides. This method provides a general strategy to search for bioactive peptides with unusual topologies and expand the structural diversity of peptide-based drugs.

PubMed: 29147502
DOI: 10.1039/c7sc01314k

実験手法

X-RAY DIFFRACTION (1.89 Å)