Title of article :
An Experimental Study to Biological Activity and Synthesis; and Theoretical Study for MEP, HOMO/LUMO Analysis and Molecular Docking of N-(2-pyridyl)-para-styrene Sulfonamides
Author/Authors :
Shafieyoon, Parvaneh Department of Chemistry - Faculty of Science - Lorestan University , Mehdipour, Ebrahim Department of Chemistry - Faculty of Science - Lorestan University , Tavakol, Hosien Department of Chemistry - Isfahan University of Technology
Abstract :
A combined experimental and theoretical investigation has been reported on N-(2-pyridyl)-para-styrene sulfonamide (abbreviated as PSS). This compound synthesized from the reaction of para-styrene sulfonyl chloride and 2- amino pyridine. The PSS was confirmed using FT-IR, 1H-NMR spectroscopy. MEP and HOMO-LUMO analysis of the PSS have been investigated using DFT method. The PSS is investigated against Staphylococcus aureus and Escherichia coli. Molecular Docking study is also reported.
Keywords :
N-(pyridyl)-para styrene sulfonamide , DNA , BSA , MEP , HOMO and LUMO analysis
