Title:Deciphering the binding of carbendazim (fungicide) with human serum albumin: A multi-spectroscopic and molecular modelling studies
DOI:10.1080/07391102.2018.1481768
ligand name:carbendazim
ligand smiles:COC(=O)NC1=NC2=CC=CC=C2N1  
key residue(hbond):His67;Glu252 d
key residue(hydrophobic):
PDB ID:
Binding Area:Sudlow's site I as the primary binding site and Sudlow's site II as the secondary binding site

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;303;308;
KSV;2.188*10^4;1.96*10^4;1.59*10^4;
kq;
n;1.1;;;
K;
Ka;
Kb;1.258*10^4;;;
ΔH;
ΔS;
ΔG;-29.079;;;
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)





