Title:Chalcone derivatives interaction with human serum albumin and cyclooxygenase-2
DOI:10.1039/d3ra07438b
ligand name:a
ligand smiles:O=C(/C=C/C1=CC=CC=C1)C1=CC=C(O)C=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:


#Binding and thermodynamic parameters#
parameter;
pH;
T;293;298;303;
KSV;
kq;6.91*E18;3.96*E18;3.57*E18;
n;1.02;1.05;1.08;
K;
Ka;
Kb;3.26*E6;2.90*E6;2.66*E6;
ΔH;-188.05;-188.05;-188.05;
ΔS;18.02;18.02;18.02;
ΔG;-55.11;-56.05;-56.99;
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)





