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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

Publish place: Organic Chemistry Research، Vol: 5، Issue: 1
Publish Year: 1398
Type: Journal paper
Language: English
View: 130

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Link to this Paper:
https://civilica.com/doc/1766211

Document National Code:

JR_ORGC-5-1_004

Index date: 25 September 2023

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 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.

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 Keywords:

N-(pyridyl)-para styrene sulfonamide , DNA , BSA , MEP , HOMO and LUMO analysis

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 authors

Parvaneh Shafieyoon

Department of Chemistry, Faculty of Science, Lorestan University, Khoramabad

Ebrahim Mehdipour

Department of Chemistry Faculty of Science Lorestan University, ۶۸۱۳۷-۱۷۱۳۳ Khorramabad Iran

Hosien Tavakol

Department of Chemistry, Isfahan University of Technology