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:Cur-BF2
ligand smiles:COC1=CC(/C=C/C2=[O+][B-](F)(F)OC(/C=C/C3=CC(OC)=C(O)C=C3)=C2)=CC=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;1.03;1.17;1.28;1.36;1.39;
K;
Ka;
Kb;4.65*E5;7.94*E5;8.06*E5;8.81*E5;9.33*E5;
ΔH;7.85;7.85;7.85;7.85;7.85;
ΔS;113;113;113;113;113;
ΔG;-31.26;-33.11;-33.71;-34.50;-35.45;
Kd;


#ITC#
parameter;site I;site II;site III
pH;
T;298.15;298.15;298.15;
n;
K;3.24*E5;3.40*E4;2.07*E4;
Ka;
Kb;
ΔH;15.03;-38.43;35.89;
ΔS;138;42;203;
ΔG;-25.73;-25.85;-24.62;
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)





