title: Computational Insights of the Interaction among Sea Anemones Neurotoxins and Kv1.3 Channel.
abstract: Sea anemone neurotoxins are peptides that interact with Na(+) and K(+) channels, resulting in specific alterations on their functions. Some of these neurotoxins (1ROO, 1BGK, 2K9E, 1BEI) are important for the treatment of about 80 autoimmune disorders because of their specificity for Kv1.3 channel. The aim of this study was to identify the common residues among these neurotoxins by computational methods, and establish whether there is a pattern useful for the future generation of a treatment for autoimmune diseases. Our results showed eight new key common residues between the studied neurotoxins interacting with a histidine ring and the selectivity filter of the receptor, thus showing a possible pattern of interaction. This knowledge may serve as an input for the design of more promising drugs for autoimmune treatments.
authors.affiliation: Department of Nutrition and Biochemistry, Faculty of Science, Pontificia Universidad Javeriana, Bogotá D.C., Colombia.
authors.forename: Angélica
authors.initials: A
authors.lastname: Sabogal-Arango
authors.affiliation: Department of Nutrition and Biochemistry, Faculty of Science, Pontificia Universidad Javeriana, Bogotá D.C., Colombia.
authors.forename: George E
authors.initials: GE
authors.lastname: Barreto
authors.affiliation: Department of Pharmacy, Faculty of Science, Universidad Nacional de Colombia, Bogotá D.C., Colombia.
authors.forename: David
authors.initials: D
authors.lastname: Ramírez-Sánchez
authors.affiliation: Department of Pharmacy, Faculty of Science, Universidad Nacional de Colombia, Bogotá D.C., Colombia.
authors.forename: Juan
authors.initials: J
authors.lastname: González-Mendoza
authors.affiliation: Department of Nutrition and Biochemistry, Faculty of Science, Pontificia Universidad Javeriana, Bogotá D.C., Colombia.
authors.forename: Viviana
authors.initials: V
authors.lastname: Barreto
authors.affiliation: Department of Nutrition and Biochemistry, Faculty of Science, Pontificia Universidad Javeriana, Bogotá D.C., Colombia.
authors.forename: Ludis
authors.initials: L
authors.lastname: Morales
authors.affiliation: Department of Nutrition and Biochemistry, Faculty of Science, Pontificia Universidad Javeriana, Bogotá D.C., Colombia.
authors.forename: Janneth
authors.initials: J
authors.lastname: González
keywords: Kv1.3; autoimmune diseases; computational methods; neurotoxins; potassium channel