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:I-Cur-BF2
ligand smiles:COC1=CC(/C=C/C2=[O+][B-](F)(F)OC(/C=C/C3=CC(OC)=C(O)C(I)=C3)=C2)=CC(I)=C1O
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;12.5*E5;14.4*E5;21.3*E5;24.7*E5;69.1*E5;
ΔH;5.60;5.60;5.60;5.60;5.60;
ΔS;10.19;10.19;10.19;10.19;10.19;
ΔG;-33.63;-34.56;-36.49;-37.10;-40.61;
Kd;


#ITC#
parameter;site I;site II;site III
pH;
T;298.15;298.15;298.15;
n;
K;11.6*E5;9.16*E4;7.96*E4;
Ka;
Kb;
ΔH;10.03;21.50;30.71;
ΔS;433;94;454;
ΔG;-28.89;-28.31;-27.96;
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)





