Title:Mechanism of interactions between organophosphorus insecticides and human serum albumin: Solid-phase microextraction, thermodynamics and computational approach
DOI:10.1016/j.chemosphere.2020.126698
ligand name:Malathion
ligand smiles:CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC  
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:subdomain IIIA

#Binding and thermodynamic parameters#
parameter;
pH;
T;303;310;
KSV;
kq;
n;
K;
Ka;1.07*10^4;4.02*10^4;
Kb;
ΔH;-147.7;-147.7;
ΔS;-399.2;-399.2;
ΔG;-26.70;-23.91;
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)





