Title:Interaction of a new triazole compound with serum albumins and proteolytic enzyme bromelain by steady state fluorescence and molecular docking techniques
DOI:10.56042/ijbb.v61i5.6123
ligand name:SAM-1
ligand smiles:CC(C)(C)OC(=O)NCCCCCC(=O)NCC1=CN(C2=CC(=O)OC3=C2C=CC=C3)NN1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:


#Binding and thermodynamic parameters#
parameter;
pH;
T;298;
KSV;13.8*E5;
kq;27.6*E13;
n;0.97;
K;
Ka;
Kb;13.2*E5;
ΔH;
ΔS;
ΔG;-6.50;
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)





