Title:Unravelling the binding mechanism and protein stability of human serum albumin while interacting with nefopam analogues: a biophysical and in silico approach
DOI:10.1080/07391102.2016.1216895
ligand name:NF1
ligand smiles:CCOC(=O)C1=C(C=C2OC\C=C/CN(C3=CC=CC=C3)C2=C1C)C1=CC=CC=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:sites IIIA, IB and IIA  d

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;
KSV;
kq;5.5*10^13；
n;0.87
K;
Ka;
Kb;1.53*10^4;
ΔH;
ΔS;
ΔG;-22.928;
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)





