Title:Interaction of curcumin and its derivatives with the carrier protein human serum albumin: Biophysical and thermodynamic approach
DOI:10.1016/j.jct.2024.107273
ligand name:Curcumin
ligand smiles:COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:


#Binding and thermodynamic parameters#
parameter;
pH;
T;288.15;293.15;298.15;303.15;310.15;
KSV;
kq;
n;1.10;1.15;1.19;1.21;1.27;
K;
Ka;
Kb;3.81*E5;5.55*E5;7.58*E5;8.51*E5;9.20*E5;
ΔH;5.60;5.60;5.60;5.60;5.60;
ΔS;91.6;91.6;91.6;91.6;91.6;
ΔG;-30.79;-32.24;-33.56;-34.42;-35.41;
Kd;


#ITC#
parameter;site I;site II;site III
pH;
T;298.15;298.15;298.15;
n;
K;1.05*E5;9.94*E4;9.35*E4;
Ka;
Kb;
ΔH;47.89;-21.6;78.58;
ΔS;257;23;359;
ΔG;-28.64;-28.51;-28.35;
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)





