Title:Study on the interaction of three classical drugs used in psychiatry in albumin through spectrofluorimetric modeling
DOI:10.1016/j.saa.2021.119638
ligand name:BPD
ligand smiles:C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;290nm;290nm;
pH;
T;310;298;
KSV;20.1*10^7;12.5*10^7;
kq;
n;1;;
K;
Ka;
Kb;15.5*10^7;11.4*10^7;
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;
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)





