Title:Interactions of N-Mannich Bases of Pyrrolo[3,4-c]pyrrole with Artificial Models of Cell Membranes and Plasma Proteins, Evaluation of Anti-Inflammatory and Antioxidant Activity
DOI:10.3390/membranes13030349
ligand name:7l
ligand smiles:CC1=C2C(=O)N(CN3CCN(S(C)(=O)=O)CC3)C(=O)C2=C(C)N1C1=CC=CC=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:


#Binding and thermodynamic parameters#
parameter;
pH;
T;297;303;308;
KSV;1.73*E5;1.09*E5;0.77*E5;
kq;1.73*E13;1.09*E13;0.77*E13;
n;0.82;0.62;0.79;
K;
Ka;
Kb;1.66*E3;0.79*E3;0.35*E3;
ΔH;-109.07;-109.07;-109.07;
ΔS;-295.15;-295.15;-295.15;
ΔG;-21.41936;-19.64864;-18.17304;
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)





