Title:Spectroscopic and cytotoxicity study on the influence of (-)-epigallocatechin-3-gallate on the interaction of daunorubicin with human serum albumin
DOI:10.3964/j.issn.1000-0593(2020)06-1821-07
ligand name:daunorubicin
ligand smiles:C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O  
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;298.2;302.2;306.2;310.2;
KSV;1.76*10^4;1.72*10^4;1.64*10^4;1.61*10^4;
kq;1.76*10^12;1.72*10^12;1.64*10^12;1.61*10^12;
n;1.04;1.06;1.07;1.10;
K;
Ka;
Kb;2.60*10^4;3.21*10^4;3.97*10^4;4.93*10^4;
ΔH;40.92;40.92;40.92;40.92;
ΔS;221.83;221.83;221.83;221.83;
ΔG;-24.19;-26.05;-26.94;-27.85;
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)





