Title:One-pot synthesis of Claisen-Schmidt reaction through (E)-chalcone derivatives: Spectral studies in human serum albumin protein binding and molecular docking investigation
DOI:10.1080/00397911.2017.1355466
ligand name:5m
ligand smiles:CN1CCN(C2=NC3=CC=CC=C3C=C2/C=C/C(=O)C2=CC=C3C=CC=CC3=C2O)CC1
key residue(hbond):Lys212 d
key residue(hydrophobic):
PDB ID:
Binding Area:subdomain IIA  d

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;
KSV;4.70*10^4;
kq;4.70*10^12;
n;1.13;
K;
Ka;
Kb;2.67*10^5;
ΔH;
ΔS;
ΔG;-29.98;
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)





