Title:The influence of glycosylation of natural and synthetic prenylated flavonoids on binding to human serum albumin and inhibition of cyclooxygenases COX-1 and COX-2
DOI:10.3390/molecules22071230
ligand name:8
ligand smiles:COc3cc(OC1OC(CO)C(O)C(O)C1O)c(CC=C(C)C)c4oc(=Cc2ccc(O)cc2)c(=O)c34
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;300;305;310;315;
KSV;1.796*10^4;1.751*10^4;1.692*10^4;1.611*10^4;
kq;3.592*10^12;3.502*10^12;3.384*10^12;3.222*10^12;
n;0.929;0.881;0.879;0.802;
K;
Ka;
Kb;0.485*10^4;0.302*10^4;0.266*10^4;0.224*10^4;
ΔH;-43.061;-43.061;-43.061;-43.061;
ΔS;-37.029;-37.029;-37.029;-37.029;
ΔG;-10.429;-10.317;-10.493;-9.861;
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)





