Title:Human Serum Albumin-Occupying-Based Fluorescence Turn-On Analysis of Antiepileptic Drug Tiagabine Hydrochloride
DOI:10.1021/acs.analchem.9b03507
ligand name:perylene tetracarboxylic acid imide
ligand smiles:C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)C(=O)O)C(=C(C(=C5C3=CC=C2)C(=O)N)C(=O)O)C(=O)O
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:Sudlow site II

#Binding and thermodynamic parameters#
parameter;
pH;
T;310;
KSV;
kq;
n;;;0.87;
K;
Ka;;;5.88*10^3;
Kb;
ΔH;
ΔS;
ΔG;
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)





