Title:Chalcone derivatives interaction with human serum albumin and cyclooxygenase-2
DOI:10.1039/d3ra07438b
ligand name:c
ligand smiles:COC1=CC(/C=C/C(=O)C2=CC=C(I)S2)=CC(OC)=C1OC
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:


#Binding and thermodynamic parameters#
parameter;
pH;
T;293;298;303;
KSV;
kq;5.71*E18;5.53*E18;4.95*E18;
n;0.98;1.41;1.03;
K;
Ka;
Kb;1.57*E6;1.40*E6;1.33*E6;
ΔH;-184.10;-184.10;-184.10;
ΔS;14.75;14.75;14.75;
ΔG;-45.05;-45.79;-46.53;
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)





