Title:Development of D-π-A organic dyes for discriminating HSA from BSA and study on dye-HSA interaction
DOI:10.1016/j.bioorg.2024.107360
ligand name:M−H−SO3
ligand smiles:O=S(=O)([O-])CCCC[N+]1=C(/C=C/C2=CC=C(C3=NC(C4=CC=CC=C4)=C(C4=CC=CC=C4)N3)C=C2)C=CC=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:


#Binding and thermodynamic parameters#
parameter;
pH;
T;298;304;310;
KSV;5.58*E4;4.32*E4;3.24*E4;
kq;5.58*E12;4.32*E12;3.24*E12;
n;0.9541;0.8373;0.7319;
K;
Ka;3.236*E5;0.635*E5;0.129*E5;
Kb;
ΔH;-89.2;-89.2;-89.2;
ΔS;-261.8;-261.8;-261.8;
ΔG;-11.17;-9.6;-7.99;
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)





