Title:Multi-spectroscopic and molecular docking studies for binding interaction between fluvoxamine and human serum albumin
DOI:10.1016/j.saa.2021.119495
ligand name: fluvoxamine
ligand smiles: COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F  
key residue(hbond):
key residue(hydrophobic):Asp451;Lys199;Leu481;Ser454 d
PDB ID:
Binding Area:site I (subdomain IIA)

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;310;318;
KSV;7.9*10^3;4.1*10^3;2.6*10^3;
kq;7.9*10^11;4.1*10^11;2.6*10^11;
n;0.9067;1.149;1.3319;
K;2998;13234;82737
Ka;
Kb;
ΔH;129.38;129.38;129.38;
ΔS;0.50;0.50;0.50;
ΔG;-19.62;-25.62;-29.62;
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;
E;0.2371
R0;1.22
r;1.48
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)





