Fatty acid binding to serum albumin: Molecular simulation approaches

• Published in: Biochimica et biophysica acta Vol. 1830; no. 12; pp. 5427 - 5434
• Main Authors: Fujiwara, Shin-ichi, Amisaki, Takashi
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 01.12.2013
• Subjects: binding capacity; blood; Docking; energy; Fatty acid; fatty acids; Fatty Acids - chemistry; Fatty Acids - metabolism; Free energy; Human serum albumin; ligands; Molecular dynamics; Molecular Dynamics Simulation; Serum Albumin - chemistry; Serum Albumin - metabolism; Simulation; Structure-Activity Relationship; structure-activity relationships; warfarin; Molecular dynamics; Human serum albumin; Docking; Simulation; Fatty acid; Free energy

Binding affinity for human serum albumin (HSA) is one of the most important factors affecting the distribution and free blood concentration of many ligands. The effect of fatty acids (FAs) on HSA-ligand binding has long been studied. Since the elucidation of the 3-dimensional structure of HSA, molec...