Acute phase α1-acid glycoprotein as a siderophore-capturing component of the human plasma: A molecular modeling study
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Graphical abstract
Keywords
α1-acid glycoprotein
Siderophores
Molecular docking
Molecular dynamics
Neutrophil gelatinase-associated lipocalin
Parameterization of metal complexes
Petrobactin
Siderocalin
Abbreviations
2,3-dihydroxybenzoic acid
2,3-DHBA
AAG
α1-acid glycoprotein
FeEnt
ferric enterobactin
Lcn1
lipocalin 1
LIE
Linear Interaction Energy
MM-PBSA
Molecular Mechanics-Poisson Boltzmann Surface Area
NGAL
neutrophil gelatinase-associated lipocalin
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© 2021 The Author(s). Published by Elsevier Inc.