Title:Antioxidant Activity Evaluation and Assessment of the Binding Affinity to HSA of a New Catechol Hydrazinyl-Thiazole Derivative
DOI:10.3390/antiox11071245
ligand name:CHT
ligand smiles:CC1=CSC([NH2+]/N=C/C2=CC=C(O)C(O)=C2)=N1
key residue(hbond):PHE134;TYR161 d
key residue(hydrophobic):
PDB ID:
Binding Area:FA1 d

#Binding and thermodynamic parameters#
parameter;
pH;
T;
KSV;
kq;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;


#ITC#
parameter;
pH;
T;298;
n;
K;
Ka;
Kb;7.153*10^3;
ΔH;-77.8224;
ΔS;187.4432;
ΔG;-21.9660;
Cp;
Kd;

#UV-vis absorption spectroscopy#
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;

#other_method#
method;NMR
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)





