Title:Interaction of 4′-methylflavonoids with biological membranes, liposomes, and human albumin
DOI:10.1038/s41598-021-95430-8
ligand name:2′-hydroxy-4-methylchalcone (3)
ligand smiles:CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O  
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;295;300;305;310;
KSV;7.03*10^4;6.50*10^4;6.22*10^4;5.70*10^4;
kq;7.03*10^12;6.50*10^12;6.22*10^12;5.70*10^12;
n;1.27;1.21;1.16;1.10;
K;
Ka;
Kb;189.35;120.01;42.27;15.99;
ΔH;-77.83;-77.83;-77.83;
ΔS;-138.67;-138.67;-138.67;
ΔG;-37.21;-35.86;-31.87;-33.37;
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)





