title: The complex of hypericin with β-lactoglobulin has antimicrobial activity with potential applications in dairy industry.
abstract: Using a combination of molecular modeling and spectroscopic experiments, the naturally occurring, pharmacologically active hypericin compound is shown to form a stable complex with the dimeric form of β-lactoglobulin (β-LG). Binding is predicted to occur at the narrowest cleft found at the interface between monomers in the dimeric β-LG. The complex is able to preserve the fluorescence and singlet oxygen photosensitizing properties of the dye. The equilibrium constant for hypericin binding has been determined as Ka=1.40±0.07µM(-1), equivalent to a dissociation constant, Kd=0.71±0.03µM. The complex is active against Staphylococcus aureus bacteria. Overall, the results are encouraging for pursuing the potential application of the complex between hypericin and β-LG as a nanodevice with bactericidal properties for disinfection.
authors.affiliation: Institut Quimic de Sarrià, Universitat Ramon Llull, Via Augusta 390, 08017 Barcelona, Spain.
authors.forename: Beatriz
authors.initials: B
authors.lastname: Rodríguez-Amigo
authors.affiliation: Dipartimento di Fisica e Scienze della Terra, Università di Parma, Viale delle Scienze 7A, 43124 Parma, Italy.
authors.forename: Pietro
authors.initials: P
authors.lastname: Delcanale
authors.affiliation: Institut Quimic de Sarrià, Universitat Ramon Llull, Via Augusta 390, 08017 Barcelona, Spain.
authors.forename: Gabriel
authors.initials: G
authors.lastname: Rotger
authors.affiliation: Departament de Fisicoquímica and Institut de Biomedicina, Facultat de Farmàcia, Universitat de Barcelona, Avda. Prat de la Riba 171, 08921 Santa Coloma de Gramenet, Spain.
authors.forename: Jordi
authors.initials: J
authors.lastname: Juárez-Jiménez
authors.affiliation: Dipartimento di Bioscienze, Università di Parma, Viale delle Scienze 11A, 43124 Parma, Italy; NEST, Istituto Nanoscienze, CNR, Piazza San Silvestro 12, 56127 Pisa, Italy.
authors.forename: Stefania
authors.initials: S
authors.lastname: Abbruzzetti
authors.affiliation: Dipartimento di Scienze degli Alimenti, Università di Parma, via del Taglio, 10, 43126 Parma, Italy.
authors.forename: Andrea
authors.initials: A
authors.lastname: Summer
authors.affiliation: Institut Quimic de Sarrià, Universitat Ramon Llull, Via Augusta 390, 08017 Barcelona, Spain.
authors.forename: Montserrat
authors.initials: M
authors.lastname: Agut
authors.affiliation: Departament de Fisicoquímica and Institut de Biomedicina, Facultat de Farmàcia, Universitat de Barcelona, Avda. Prat de la Riba 171, 08921 Santa Coloma de Gramenet, Spain.
authors.forename: F Javier
authors.initials: FJ
authors.lastname: Luque
authors.affiliation: Institut Quimic de Sarrià, Universitat Ramon Llull, Via Augusta 390, 08017 Barcelona, Spain.
authors.forename: Santi
authors.initials: S
authors.lastname: Nonell
authors.affiliation: Dipartimento di Fisica e Scienze della Terra, Università di Parma, Viale delle Scienze 7A, 43124 Parma, Italy; NEST, Istituto Nanoscienze, CNR, Piazza San Silvestro 12, 56127 Pisa, Italy. Electronic address: cristiano.viappiani@fis.unipr.it.
authors.forename: Cristiano
authors.initials: C
authors.lastname: Viappiani
mesh_terms: D000818:Animals; D000873:Anthracenes; D000890:Anti-Infective Agents / Q000008:administration & dosage / Q000737:chemistry*; D001665:Binding Sites; D003612:Dairying; D004203:Disinfection; D005453:Fluorescence; D007782:Lactoglobulins / Q000008:administration & dosage* / Q000737:chemistry*; D008958:Models, Molecular; D010569:Perylene / Q000008:administration & dosage / Q000031:analogs & derivatives* / Q000737:chemistry; D010778:Photochemotherapy / Q000662:veterinary; D017319:Photosensitizing Agents; D011485:Protein Binding; D013211:Staphylococcus aureus / Q000187:drug effects
chemical_list: D000873:Anthracenes; D000890:Anti-Infective Agents; D007782:Lactoglobulins; D017319:Photosensitizing Agents; D010569:Perylene; C004965:hypericin
keywords: antimicrobial; hypericin; photosensitizer; β-lactoglobulin