title: Functional and structural insights on self-assembled nanofiber-based novel antibacterial ointment from antimicrobial peptides, bacitracin and gramicidin S.
abstract: A novel antibacterial ointment using bacitracin, specific for Gram-positive bacteria, and gramicidin S, a highly toxic antibacterial peptide, was here developed showing broad-spectrum antibacterial activities against pathogenic strains with less toxicity after self-assembly into nanofiber structures. Such structures were confirmed with scanning electron microscopy and CD analyses. In addition, in silico studies using docking associated with molecular dynamics were carried out to obtain information about fiber structural oligomerization. Thus, the bacitracin and gramicidin S-based self-assembled nanopeptide ribbon may be a successful ointment formulation for bacterial infection control.
authors.affiliation: Mass Spectrometry & Proteomics Lab, Central Research Facility, Indian Institute of Technology, Kharagpur, Kharagpur, India.
authors.forename: Santi M
authors.initials: SM
authors.lastname: Mandal
authors.affiliation: Mass Spectrometry & Proteomics Lab, Central Research Facility, Indian Institute of Technology, Kharagpur, Kharagpur, India.
authors.forename: Anupam
authors.initials: A
authors.lastname: Roy
authors.affiliation: Mass Spectrometry & Proteomics Lab, Central Research Facility, Indian Institute of Technology, Kharagpur, Kharagpur, India.
authors.forename: Denial
authors.initials: D
authors.lastname: Mahata
authors.affiliation: Centro de Análises Proteômicas e Bioquímicas, Programa de Pós-Graduação em Ciências Genômicas e Biotecnologia, UCB, Brasília, Brazil.
authors.forename: Ludovico
authors.initials: L
authors.lastname: Migliolo
authors.affiliation: Centro de Análises Proteômicas e Bioquímicas, Programa de Pós-Graduação em Ciências Genômicas e Biotecnologia, UCB, Brasília, Brazil.
authors.forename: Diego O
authors.initials: DO
authors.lastname: Nolasco
authors.affiliation: Centro de Análises Proteômicas e Bioquímicas, Programa de Pós-Graduação em Ciências Genômicas e Biotecnologia, UCB, Brasília, Brazil.
authors.forename: Octavio L
authors.initials: OL
authors.lastname: Franco
mesh_terms: D000900:Anti-Bacterial Agents / Q000008:administration & dosage / Q000737:chemistry / Q000494:pharmacology*; D001414:Bacitracin / Q000008:administration & dosage / Q000737:chemistry / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects*; D001424:Bacterial Infections / Q000188:drug therapy / Q000382:microbiology; D002626:Chemistry, Pharmaceutical; D002942:Circular Dichroism; D006096:Gramicidin / Q000008:administration & dosage / Q000737:chemistry / Q000494:pharmacology*; D008855:Microscopy, Electron, Scanning; D062105:Molecular Docking Simulation; D057139:Nanofibers; D009824:Ointments; D055503:Protein Multimerization
chemical_list: D000900:Anti-Bacterial Agents; D009824:Ointments; D001414:Bacitracin; D006096:Gramicidin