Title:HSA and DNA binding analysis of antiviral drug cidofovir: Spectroscopic and molecular docking techniques
DOI:10.1016/j.jphotochem.2024.115771
ligand name:cidofovir
ligand smiles:NC1=NC(=O)N(C[C@@H](CO)OCP(=O)(O)O)C=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:site II


#Binding and thermodynamic parameters#
parameter;
pH;
T;293;298;303;
KSV;3.40*E4;2.44*E4;2.21*E4;
kq;3.40*E12;2.44*E12;2.21*E12;
n;0.8331;0.8924;1.1277;
K;
Ka;
Kb;5.6*E3;7.2*E3;93*E3;
ΔH;208.4;208.4;208.4;
ΔS;779.6;779.6;779.6;
ΔG;-21.03;-22.02;-28.8;
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)





