In this thesis, experimental and theoretical studies of interactions between vancomycin and FS-DNA were performed. Vancomycin is a glycopeptide antibiotic that effect on cell walls and used for the treatment of infections caused by Gram-positive bacteria. Changes in the absorption and emission spectra obtained from spectroscopic methods showed that the vancomycin interacts with DNA. Also, Docking analysis showed that hydrophobic and hydrogen bonding interactions play important roles in binding vancomycin to DNA. These interactions in the binding site included hydrogen bonding interactions of vancomyin with T20, C6, A5, G23 and G22 and hydrophobic interactions between vancomycin and G4, C21 and G7. Viscometery, fluorescence and docking studies revealed that type of DNA-Vancomycin interaction is intercalation. The binding affinity of vancomycin to DNA by UV-Vis titration and molecular docking were found to be 0.161(±0.064)×10 5 M -1 and 5.26×10 5 M -1 , respectively. Also Stoichiometric binding ratio of DNA-Vancomycin complex was studied by using Job Plot and ratio was 1:1. At the end, molecular dynamic (MD) simulation was performed on DNA-Vancomycin complex. Details of interaction and binding site between vancomycin and DNA were compared before and after MD simulation. The number of interactions before simulation was less than the number of interactions after of simulation.