Title:Molecular interactions between warfarin and human (HSA) or bovine (BSA) serum albumin evaluated
DOI:10.1016/j.jpba.2017.12.008
ligand name:warfarin
ligand smiles:CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;303;310;
KSV;8.46*10^4;8.39*10^4;8.29*10^4;
kq;
n;0.92;;;
K;
Ka;
Kb;4.21*10^4;;;
ΔH;-5.6;;;
ΔS;69.7339;;;
ΔG;-26.3807;;;
Kd


#ITC#
parameter;
pH;
T;298;
n;1.21;
K;
Ka;
Kb;7.08*10^4
ΔH;-5.4;
ΔS;74.7267;
ΔG;-27.6686;
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)





