DFT and Experimental vibrartion al analys is of Ofloxacin by Quantum liquid DFT calculation

Ofloxacin ((RS)-۷-fl uoro-۲-methyl-۶-(۴-methylpiperazin -۱-yl)-۱۰-o xo-۴-oxa-۱-azatricyclo[۷.۳.۱.۰۵,۱۳]trideca-۵( ۱۳),۶,۸,۱۱-te traene-۱۱-carboxylic acid) (Fig.۱ ) is a synthetic chemotherapeuticantibiotic of the fluoroquinolone drug class considered to be a second-generatio n fluoroquinolone [ ۱, ۲ ]. Ofloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria. It functions by inhibiting DNA gyrase, a type II topo isomerase, and topoiso merase IV,[۳ ] which is an enzyme necessary to separate (mostly in prokaryotes, in bacteria in particular) replicated DNA, thereb y inhibiting bacterial cell divisio n.In this rese arch study, the formatio n potential Molecular structure, Vibratio nal analysis ofOfloxacinof Ofloxaci nhave been investigated by DFT calculation.

کلیدواژه ها:

Ofloxacin ، Vibration al analysis ، B۳LYP ، DF T ، FT-IR ، U V-VIS ، ۱H NMR.