Title:The evaluation of acute toxicity, antimicrobial activity of 1-phenyl-5-p-tolyl-1H-1, 2, 3-triazole, and binding to human serum albumin
DOI:10.1002/jbt.21959
ligand name:PPTA
ligand smiles:CC1=CC=C(C=C1)C1=CN=NN1C1=CC=CC=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:site II

#Binding and thermodynamic parameters#
parameter;
pH;
T;
KSV;6.72*10^3;6.40*10^3;4.72*10^3;
kq;
n;0.95;0.80;0.90;
K;0.836*10^4;1.293*10^4;1.536*10^4;
Ka;
Kb;
ΔH;-13.893;-13.893;-13.893;
ΔS;27.162;27.162;27.162;
ΔG;-22.014;-22.286;-22.557;
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;1.9515*10^-14
E;
R0;2.64;
r;4.97;
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)





