پديد آورنده :
خالدي، آرمان
عنوان :
بررسي اسپكتروسكوپي و مدل سازي مولكولي بر همكنش ونكومايسين با DNA
مقطع تحصيلي :
كارشناسي ارشد
گرايش تحصيلي :
شيمي تجزيه
محل تحصيل :
اصفهان: دانشگاه صنعتي اصفهان، دانشكده شيمي
صفحه شمار :
ده، 51ص.: مصور، نمودار
يادداشت :
ص.ع. به فارسي و انگليسي
استاد راهنما :
تقي خياميان
توصيفگر ها :
داكينگ مولكولي , شبيه سازي ديناميك مولكولي
تاريخ نمايه سازي :
94/2/1
استاد داور :
محمدتقي جعفري، محمد سراجي
تاريخ ورود اطلاعات :
1396/09/26
چكيده انگليسي :
Spectroscopy and molecular modeling studies of interaction between Vancomycin and DNA Arman Khaledi a khaledich@gmail com Department of Chemistry Iran Isfahan University of Technology Isfahan 84156 83111Degree M Sc Language FarsiSupervisor Dr T Khayamian Taghi@cc iut ac irDepartment Graduate Program Coordinator Dr A R Najafi Department of Chmistry Isfahan University of Technology Isfahan Iran Email Taghi@cc iut ac ir AbstractIn this thesis experimental and theoretical studies of interactions between vancomycin and FS DNA wereperformed Vancomycin is a glycopeptide antibiotic that effect on cell walls and used for the treatment ofinfections caused by Gram positive bacteria Changes in the absorption and emission spectra obtained fromspectroscopic methods showed that the vancomycin interacts with DNA Also Docking analysis showed thathydrophobic and hydrogen bonding interactions play important roles in binding vancomycin to DNA Theseinteractions in the binding site included hydrogen bonding interactions of vancomyin with T20 C6 A5 G23and G22 and hydrophobic interactions between vancomycin and G4 C21 and G7 Viscometery fluorescenceand docking studies revealed that type of DNA Vancomycin interaction is intercalation The binding affinityof vancomycin to DNA by UV Vis titration and molecular docking were found to be 0 161 0 064 105 M 1and 5 26 105 M 1 respectively Also Stoichiometric binding ratio of DNA Vancomycin complex was studiedby using Job Plot and ratio was 1 1 At the end molecular dynamic MD simulation was performed onDNA Vancomycin complex Details of interaction and binding site between vancomycin and DNA werecompared before and after MD simulation The number of interactions before simulation was less than thenumber of interactions after of simulation Key word Molecular docking Molecular dynamics simulation DNA Vancomycin
استاد راهنما :
تقي خياميان
استاد داور :
محمدتقي جعفري، محمد سراجي
