NMR and Docking Calculations Reveal Novel Atomistic Selectivity of a Synthetic High-Affinity Free Fatty Acid vs. Free Fatty Acids in Sudlow’s Drug Binding Sites in Human Serum Albumin

NMR and Docking Calculations Reveal Novel Atomistic Selectivity of a Synthetic High-Affinity Free Fatty Acid vs. Free Fatty Acids in Sudlow’s Drug Binding Sites in Human Serum Albumin

Saturation transfer difference (STD), inter-ligand NOEs (INPHARMA NMR), and docking calculations are reported for investigating specific binding sites of the high-affinity synthetic 7-nitrobenz-2-oxa-1,3-diazoyl-4-C<sub>12</sub> fatty acid (NBD-C<sub>12</sub> FA) with non-lab...

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Bibliographic Details
Main Authors: Themistoklis Venianakis, Alexandra Primikyri, Till Opatz, Stefan Petry, Georgios Papamokos, Ioannis P. Gerothanassis
Format: Article
Language:English
Published: MDPI AG 2023-12-01
Series:Molecules
Subjects:
HSA
STD NMR
INPHARMA NMR
docking calculations
NBD-C<sub>12</sub> FA
Online Access:https://www.mdpi.com/1420-3049/28/24/7991

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https://www.mdpi.com/1420-3049/28/24/7991

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