Effect of quercetin on the amiloride–bovine serum albumin interaction using spectroscopic methods, molecular docking and chemometric approaches

Luminescence ◽  
2020 ◽  
Author(s):  
Mandakini Shinde ◽  
Kishor Kale ◽  
Keshav Kumar ◽  
Divya Ottoor
Keyword(s):  
Molecular Docking ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Spectroscopic Methods

scholarly journals Study of Interaction Between Bovine Serum Albumin and Dolutegravir Intermediate: Fluorescence and Molecular Docking Analysis

2021 ◽  
Vol 11 (5) ◽  
pp. 13102-13110
Keyword(s):  
Molecular Docking ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Binding Pocket ◽  
Docking Analysis ◽  
Free Binding Energy ◽  
Steady State Fluorescence Spectroscopy ◽  
Incremental Addition ◽  
Molecular Docking Analysis

Novel (4R,12aS)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido-[1',2':-4,5]-pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid (L) was synthesized and characterised. The interaction between bovine serum albumin (BSA) with L was scrutinized by steady-state fluorescence spectroscopy, fluorescence anisotropy, fluorescence lifetime, and molecular docking methods. The fluorescence titration experiments of BSA resulted in fluorescence quenching with the incremental addition of L. The conformational binding of L to BSA has been investigated by molecular docking analysis. The molecular probe's best conformation showed the affinity as free binding energy release of -7.93 Kcal/mol. The docking analysis confirms that ligand binds in the near vicinity of TRP-213 in the binding pocket of subdomain IIA.

scholarly journals Spectroscopic, thermodynamic and molecular docking studies of bovine serum albumin interaction with ascorbyl palmitate food additive

Bioimpacts ◽  
2017 ◽  
Vol 7 (4) ◽  
pp. 241-246 ◽  
Author(s):  
Yousef Sohrabi ◽  
Vahid Panahi-Azar ◽  
Abolfazl Barzegar ◽  
Jafar Ezzati Nazhad Dolatabadi ◽  
Parvin Dehghan
Keyword(s):  
Molecular Docking ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Ascorbyl Palmitate ◽  
Docking Studies ◽  
Food Additive ◽  
Molecular Docking Studies
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