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Title: Efficiency of antimicrobial defense: molecular flexibility of natural defensin and artificial bis-quaternary ammonium compound. Author: Ohkura K, Shinohara Y, Hori H. Journal: Anticancer Res; 2011 Jul; 31(7):2561-4. PubMed ID: 21873175. Abstract: BACKGROUND: Human α-defensins (such as HD5 and HD6) are typical bactericidal peptides. We examined the molecular features of HD5 and HD6 by molecular dynamics (MD) analysis. MATERIALS AND METHODS: Molecular features of natural defensins and artificial bis-quaternary ammonium compounds (e.g. 1,6-polymethylenedithio)bis(1-octylpyridinium iodide: 4DTBP-m,8) were analyzed using molecular simulation techniques. RESULTS: HD5 and HD6 had different electrostatic potential profiles, which indicated the region-dependent hydrophobicity. 4DTBP-m,8 derivatives were significantly flexible, and many conformers existed. CONCLUSION: HD5 and HD6 indicated antimicrobial activity by restricted conformation.[Abstract] [Full Text] [Related] [New Search]