Title:Comparative investigation on interaction between potent antimalarials and human serum albumin using multispectroscopic and computational approaches
DOI:10.1002/bio.4590
ligand name:JMI 105
ligand smiles:COC1=CC=C(N2C=C(COC3=C(C)C=CC(C(C)C)=C3)N=N2)C=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:


#Binding and thermodynamic parameters#
parameter;
pH;
T;298;308;
KSV;1.27*E3;;
kq;1.27*E11;;
n;
K;
Ka;
Kb;1.87*E4;0.88*E4;
ΔH;-56.01;-56.01;
ΔS;-260;-260;
ΔG;-24.36;-23.23;
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)





