N. Ingarsal

DFT, ADME, Docking and Anti-inflammatory Activity of (E)-3-(3-Bromo-4-Methoxyphenyl)-1-(Substituted phenyl) Prop-2-en-1-ones

We have prepared two aryl α- and β-unsaturated ketones by microwave irradiation, and their formation is characterized by IR and NMR spectra. The DFT calculations are performed with the Gaussian 09 program using the B3LYP/6-311G(d,p) basis set. The structures of the present compounds are optimized. The existence of the...