Title:Investigation of the interaction of naringin palmitate with bovine serum albumin: spectroscopic analysis and molecular docking
DOI:10.1371/journal.pone.0059106
ligand name:naringin
ligand smiles:C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O 
key residue(hbond):Arg194;Arg256 d
key residue(hydrophobic):Trp213;Leu197;Leu237;Val342 d
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;288;298;310;
KSV;3.762*10^4;3.744*10^4;3.572*10^4;
kq;3.762*10^12;3.744*10^12;3.572*10^12;
n;1.1;1.1;1.1;
K;
Ka;
Kb;8.433*10^4;7.727*10^4;5.649*10^4;
ΔH;-13.64;-13.64;-13.64;
ΔS;47.23;47.23;47.23;
ΔG;-27.24;-27.72;-28.28;
Kd;


#ITC#
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Cp;
Kd;

#UV-vis absorption spectroscopy#
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;

#other_method#
method;
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;

#Kinetic Parameters Describing Michaelis–Menten Constant#
HSA/Ligand;RA (%);Vmax;Km;kcat;kcat/Km;



#FRET from Steady State Measurements#
parameter;
pH;
T;
J;3.397*10^-15;
E;0.038;
R0;2.13;
r;3.64;
EFRET;
F0;
F;

#Changes in the ASA(Å2) Values of the Interacting Residues of HSA and ligand Complex
residues;ASA(Å2) of HSA;ASA(Å2)of com;ΔASA(Å2)





