Title:Investigation of the interaction between isomeric derivatives and human serum albumin by fluorescence spectroscopy and molecular modeling
DOI:10.1016/j.jlumin.2014.04.001
ligand name:3h
ligand smiles:FC1=CC=C(C=C1)C1=CC=C2N1C1=C(C=CC=C1)C2=O
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;300;322;
KSV;12.61*10^4;8.93*10^4;
kq;12.61*10^12;8.93*10^12;
n;1.1448;1.0300;
K;
Ka;
Kb;5.08*10^4;1.21*10^4;
ΔH;-53.25;-53.25;
ΔS;-68.09;-68.09;
ΔG;-32.82;-31.3250;
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;
R0;
r;
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)





