title: Structural basis of ConM binding with resveratrol, an anti-inflammatory and antioxidant polyphenol.
abstract: Resveratrol can also inhibit the activation of proinflammatory mediators and cytokines at the early gene expression stage. It is well known that lectins are sugar-binding proteins that act as both pro- and anti-inflammatory molecules. Thus, the objective of this work was to verify the binding of a polyphenol compound with a lectin of Canavalia maritima (ConM) based on their ability to inhibit pro-inflammatory processes. To accomplish this, ConM was purified and crystallized, and resveratrol was soaked at 5mM for 2h of incubation. The crystal belongs to the monoclinic space group C2, the final refinement resulted in an Rfactor of 16.0% and an Rfree of 25.5%. Resveratrol binds in the rigid β-sheet through H-bonds and hydrophobic interaction with amino acids that compose the fifth and sixth β-strands of the rigid β-sheet of ConM. The ConM and resveratrol inhibited DPPH oxidation, showing synergic activity with the most effective ratio of 2:3 and carbohydrate binding site is not directly related to antioxidant activity. It is the interaction between ConM and resveratrol that indicates the synergism of these two molecules in acting as free radicals scavengers and in reducing the inflammatory process through the inhibition of many pro-inflammatory events.
authors.affiliation: Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, BioMol-Lab, Campus do Pici S/N, 60440-970 Fortaleza, Ceará, Brazil.
authors.forename: Bruno A M
authors.initials: BA
authors.lastname: Rocha
authors.affiliation: Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, BioMol-Lab, Campus do Pici S/N, 60440-970 Fortaleza, Ceará, Brazil; Departamento de Ciências Biológicas, Universidade Regional do Cariri, Campos Sales, Ceará, Brazil.
authors.forename: Claudener S
authors.initials: CS
authors.lastname: Teixeira
authors.affiliation: Departamento de Biologia Molecular, Universidade Federal da Paraíba, Campus I, Cidade Universitária, 58059-900 João Pessoa, Paraíba, Brazil.
authors.forename: José C
authors.initials: JC
authors.lastname: Silva-Filho
authors.affiliation: Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, BioMol-Lab, Campus do Pici S/N, 60440-970 Fortaleza, Ceará, Brazil.
authors.forename: Raphael B
authors.initials: RB
authors.lastname: Nóbrega
authors.affiliation: Departamento de Engenha de Pesca, Universidade Federal do Ceará, BioMol-Group, Campus do Pici S/N, Fortaleza, Ceará, Brazil.
authors.forename: Daniel B
authors.initials: DB
authors.lastname: Alencar
authors.affiliation: Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, BioMol-Lab, Campus do Pici S/N, 60440-970 Fortaleza, Ceará, Brazil.
authors.forename: Kyria S
authors.initials: KS
authors.lastname: Nascimento
authors.affiliation: Departamento de Física, Universidade Federal do Ceará, Campus do Pici S/N, 60455-760 Fortaleza, Ceará, Brazil.
authors.forename: Valder N
authors.initials: VN
authors.lastname: Freire
authors.affiliation: Departamento de Bioquímica, Universidade Federal do Rio Grande do Sul, 90035-003 Porto Alegre, Rio Grande do Sul, Brazil.
authors.forename: Carmem J S
authors.initials: CJ
authors.lastname: Gottfried
authors.affiliation: Departamento de Biologia Molecular, Universidade Federal da Paraíba, Campus I, Cidade Universitária, 58059-900 João Pessoa, Paraíba, Brazil.
authors.forename: Celso S
authors.initials: CS
authors.lastname: Nagano
authors.affiliation: Departamento de Biologia Molecular, Universidade Federal da Paraíba, Campus I, Cidade Universitária, 58059-900 João Pessoa, Paraíba, Brazil.
authors.forename: Alexandre H
authors.initials: AH
authors.lastname: Sampaio
authors.affiliation: Departamento de Biologia Molecular, Universidade Federal da Paraíba, Campus I, Cidade Universitária, 58059-900 João Pessoa, Paraíba, Brazil.
authors.forename: Silvana
authors.initials: S
authors.lastname: Saker-Sampaio
authors.affiliation: Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Ceará, BioMol-Lab, Campus do Pici S/N, 60440-970 Fortaleza, Ceará, Brazil. Electronic address: bscavada@ufc.br.
authors.forename: Benildo S
authors.initials: BS
authors.lastname: Cavada
authors.affiliation: Departamento de Ciências Biológicas, Universidade Regional do Cariri, Campos Sales, Ceará, Brazil. Electronic address: pldelatorre@gmail.com.
authors.forename: Plínio
authors.initials: P
authors.lastname: Delatorre
mesh_terms: D000893:Anti-Inflammatory Agents / Q000494:pharmacology*; D000975:Antioxidants / Q000494:pharmacology*; D001665:Binding Sites; D001713:Biphenyl Compounds / Q000737:chemistry; D032449:Canavalia; D018360:Crystallography, X-Ray; D016166:Free Radical Scavengers / Q000494:pharmacology; D006031:Glycosylation / Q000187:drug effects; D006860:Hydrogen Bonding / Q000187:drug effects; D057927:Hydrophobic and Hydrophilic Interactions / Q000187:drug effects; D062105:Molecular Docking Simulation; D010851:Picrates / Q000737:chemistry; D037121:Plant Lectins / Q000737:chemistry* / Q000378:metabolism*; D059808:Polyphenols / Q000737:chemistry* / Q000378:metabolism*; D011485:Protein Binding / Q000187:drug effects; D017433:Protein Structure, Secondary; D011794:Quercetin / Q000494:pharmacology; D000077185:Resveratrol; D013267:Stilbenes / Q000737:chemistry* / Q000378:metabolism*
chemical_list: D000893:Anti-Inflammatory Agents; D000975:Antioxidants; D001713:Biphenyl Compounds; D016166:Free Radical Scavengers; D010851:Picrates; D037121:Plant Lectins; D059808:Polyphenols; D013267:Stilbenes; D011794:Quercetin; C004931:1,1-diphenyl-2-picrylhydrazyl; D000077185:Resveratrol
keywords: Anti-inflammatory; Antioxidant; Resveratrol