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-C₁₂ fatty acid (NBD-C₁₂ FA) with non-labeled human serum albumin...

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書誌詳細

主要な著者:	Themistoklis Venianakis, Alexandra Primikyri, Till Opatz, Stefan Petry, Georgios Papamokos, Ioannis P. Gerothanassis
フォーマット:	Artigo
言語:	Inglês
出版事項:	MDPI AG 2023-12-01
シリーズ:	Molecules
主題:	HSA STD NMR INPHARMA NMR docking calculations NBD-C<sub>12</sub> FA
オンライン･アクセス:	https://www.mdpi.com/1420-3049/28/24/7991
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