SIDERITE: Unveiling hidden siderophore diversity in the chemical space through digital exploration.
Imeta
; 3(2): e192, 2024 Apr.
Article
de En
| MEDLINE
| ID: mdl-38882500
ABSTRACT
In this work, we introduced a siderophore information database (SIDERTE), a digitized siderophore information database containing 649 unique structures. Leveraging this digitalized data set, we gained a systematic overview of siderophores by their clustering patterns in the chemical space. Building upon this, we developed a functional group-based method for predicting new iron-binding molecules with experimental validation. Expanding our approach to the collection of open natural products (COCONUT) database, we predicted a staggering 3199 siderophore candidates, showcasing remarkable structure diversity that is largely unexplored. Our study provides a valuable resource for accelerating the discovery of novel iron-binding molecules and advancing our understanding of siderophores.
Texte intégral:
1
Collection:
01-internacional
Base de données:
MEDLINE
Langue:
En
Journal:
Imeta
Année:
2024
Type de document:
Article
Pays de publication:
Australie