Title:Non-Steroidal Anti-Inflammatory Drug Effect on the Binding of Plasma Protein with Antibiotic Drug Ceftazidime: Spectroscopic and In Silico Investigation
DOI:10.3390/ijms241914811
ligand name:ceftazidime
ligand smiles:CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area: site III


#Binding and thermodynamic parameters#
parameter;
pH;
T;298;308;318;
KSV;2.3*E3;2.6*E3;3.2*E3;
kq;
n;0.96;1.01;1.09;
K;
Ka;
Kb;1.7*E3;3.0*E3;6.1*E3;
ΔH;49.5;49.5;49.5;
ΔS;227.8;227.8;227.8;
ΔG;-18.4;-20.7;-23.0;
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)





