Title:Folate titanium (IV)-chitosan nanocomposites as drug delivery system for active-targeted cancer therapy: Design, HSA/GSH binding, mechanistic, and biological investigations
DOI:10.1016/j.jddst.2024.105826
ligand name:folic acid
ligand smiles:NC1=NC2=C(N=C(CNC3=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)C=C3)C=N2)C(=O)N1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:


#Binding and thermodynamic parameters#
parameter;
pH;7.2;
T;298;
KSV;0.12*10^5;
kq;1.17*10^12
n;1.1;
K;1.04*10^4;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
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;0.6*10^4;
ΔH;
ΔS;
ΔG;-21.543;
Kd;


#other_method#
method;Stopped-flow binding experiments;
parameter;
pH;
T;298;
n;
K;
Ka;2390;
Kb;
ΔH;
ΔS;
ΔG;-19.3;
Kd;420;


#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)





