Title:Studies on the interaction between HSA and new halogenated metformin derivatives: influence of lipophilic groups in the binding ability
DOI:10.1080/07391102.2019.1627247
ligand name:MFCl
ligand smiles:CN(C)C(=N)NC(=N)\N=C\C1=CC=C(Cl)C=C1
key residue(hbond):Trp214;Asp450 d
key residue(hydrophobic):Phe210;Val342;Leu480 d
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;305;310;315;
KSV;3.69*10^4;3.80*10^4;3.85*10^4;
kq;6.00*10^12;6.18*10^12;6.26*10^12;
n;0.99;0.98;0.96;
K;
Ka;3.72*10^4;4.16*10^4;4.64*10^4;
Kb;3.34*10^4;3.16*10^4;2.53*10^4;
ΔH;17.58;17.58;17.58;
ΔS;145;145;145;
ΔG;-26.7;-27.4;-28.1;
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)





