title: In vitro and in silico antioxidant and toxicological activities of Achyrocline satureioides.
abstract: BACKGROUND
  Achyrocline satureioides ("macela or marcela") is a medicinal plant, traditionally collected in "Good Friday" before sunrise. In traditional medicine, dried flowers of A. satureioides are used as anti-dyspeptic, antispasmodic and anti-inflammatory.
  
  
  OBJECTIVE
  To evaluate the phytochemical profile and to present an in vitro and in silico approach about toxicity and antioxidant potential of A. satureioides flowers extract and its major phytoconstituents.
  
  
  METHODS
  Plant were collected according to the popular tradition. Extract were obtained by infusion and analyzed from high-performance liquid chromatography. Toxicity was evaluated in Artemia salina and human lymphocytes. Extract antioxidant activity was determined with total antioxidant capacity, DPPH•and ABTS+•scavenging, ferric reducing antioxidant power, deoxyribose degradation assay, and thiobarbituric acid reactive substances (TBA-RS) assay. TBA-RS inhibitions were evaluated in brain of rats for A. satureioides extract and its major phytoconstituents. Predictions of activity spectra for substances and in silico toxicity evaluation from major phytoconstituents were performed via computer simulation.
  
  
  RESULTS
  Chromatographic data indicated isoquercitrin, quercetin and caffeic acid as main compounds in flowers extract. Toxicity tests demonstrated a very low toxic potential of A. satureioides. Extract exhibited antioxidant activities in low concentrations. Both extract and major phytochemicals standards showed protection against lipid peroxidation in brain of rats. Computer simulations pointed some biological activities in agreement with traditional use, as well as some experimental results found in this work. Moreover, in silico toxic predictions showed that the A. satureioides major compounds had low probability for toxic risk.
  
  
  CONCLUSIONS
  Our results indicate that A. satureioides infusion possesses low toxicological potential and an effective antioxidant activity. These findings confirm the traditional use of this plant in the folk medicine.
authors: Programa de Pós-Graduação em Bioquímica, Universidade Federal do Pampa, Uruguaiana, Rio Grande do Sul, Brazil. Electronic address: acfsalgueiro@gmail.com.
authors: Andréia C F
authors: AC
authors: Salgueiro
authors: Programa de Pós-Graduação em Bioquímica, Universidade Federal do Pampa, Uruguaiana, Rio Grande do Sul, Brazil.
authors: Vanderlei
authors: V
authors: Folmer
authors: Programa de Pós-Graduação em Bioquímica, Universidade Federal do Pampa, Uruguaiana, Rio Grande do Sul, Brazil.
authors: Hemerson S
authors: HS
authors: da Rosa
authors: Programa de Pós-Graduação em Bioquímica, Universidade Federal do Pampa, Uruguaiana, Rio Grande do Sul, Brazil.
authors: Márcio T
authors: MT
authors: Costa
authors: Departamento de Farmácia Industrial, Universidade Federal de Santa Maria, Santa Maria, Rio Grande do Sul, Brazil.
authors: Aline A
authors: AA
authors: Boligon
authors: Curso de Farmácia, Universidade Federal do Pampa, Uruguaiana, Rio Grande do Sul, Brazil.
authors: Fávero R
authors: FR
authors: Paula
authors: Programa de Pós-Graduação em Bioquímica, Universidade Federal do Pampa, Uruguaiana, Rio Grande do Sul, Brazil.
authors: Daniel H
authors: DH
authors: Roos
authors: Programa de Pós-Graduação em Bioquímica, Universidade Federal do Pampa, Uruguaiana, Rio Grande do Sul, Brazil; Departamento de Morfologia, Universidade Federal de Santa Maria, Santa Maria, Rio Grande do Sul, Brazil.
authors: Gustavo O
authors: GO
authors: Puntel
mesh_terms: D036921:Achyrocline / Q000737:chemistry*; D000818:Animals; D000975:Antioxidants / Q000494:pharmacology*; D001156:Artemia / Q000187:drug effects; D002478:Cells, Cultured; D002851:Chromatography, High Pressure Liquid; D020552:Comet Assay; D006801:Humans; D057230:Limit of Detection; D010936:Plant Extracts / Q000494:pharmacology* / Q000633:toxicity; D051381:Rats; D013056:Spectrophotometry, Ultraviolet
chemical_list: D000975:Antioxidants; D010936:Plant Extracts
keywords: Activity prediction; Bioinformatics; Caffeic acid (PubChem CID: 689043); Isoquercitrin (PubChem CID: 5280804); Macela; Medicinal herb; Phytochemicals; Quercetin (PubChem CID: 5280343); Traditional medicine