Molecular Basis for the Selectivity of DHA and EPA in Sudlow’s Drug Binding Sites in Human Serum Albumin with the Combined Use of NMR and Docking Calculations

Molecular Basis for the Selectivity of DHA and EPA in Sudlow’s Drug Binding Sites in Human Serum Albumin with the Combined Use of NMR and Docking Calculations

Medium- and long-chain saturated and unsaturated free fatty acids (FFAs) are known to bind to human serum albumin (HSA), the main plasma carrier protein. Atomic-level structural data regarding the binding mode in Sudlow’s sites I (FA7) and II (FA4, FA3) of the polyunsaturated ω-3 fatty acids docosah...

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Bibliographic Details
Main Authors: Eleni Alexandri, Themistoklis Venianakis, Alexandra Primikyri, Georgios Papamokos, Ioannis P. Gerothanassis
Format: Article
Language:English
Published: MDPI AG 2023-04-01
Series:Molecules
Subjects:
HSA
DHA
EPA
STD NMR
INPHARMA NMR
docking calculations
Online Access:https://www.mdpi.com/1420-3049/28/9/3724

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