title: Isolation, structural characterization and in silico drug-like properties prediction of a natural compound from the ethanolic extract of Cayratia trifolia (L.).
abstract: BACKGROUND
  Natural products have continually played an important role in drug discovery because it serves as active principles in drugs as well as templates for synthesis of new drugs. Cayratia trifolia (L.) is a medicinal plant, which has been reported to have antiviral, antibacterial, antiprotozoal, hypoglycemic, anticancer and diuretic activities.
  
  
  OBJECTIVE
  Therefore, the objective of this study is to isolate and identify the natural compound from the ethanolic extract of Cayratia trifolia (L.) and to predict the Absorption, Distribution, Metabolism and Excretion (ADME) properties of isolated natural compound.
  
  
  METHODS
  Column chromatography and thin layer chromatography were used to isolate the natural compound and Fourier-transform infrared (FTIR) spectroscopy was used to predict the functional groups present in the isolated natural compound. The structural characterization studies were functionally carried out using (1)H, (13)C, two-dimensional nuclear magnetic resonance (NMR) and mass spectrometry methods.
  
  
  RESULTS
  FTIR showed that, the groups of OH, C-H, C = C may be present in the isolated natural compound. (1)H, (13)C, two-dimensional NMR and mass spectrometry data suggests that the isolated natural compound probably like linoleic acid. In silico ADME properties, prediction of the compound was under acceptable range.
  
  
  CONCLUSIONS
  Based on the results, it can be concluded that, the isolated natural compound of linoleic acid that has been exhibited good medicinal properties.
authors.affiliation: Department of Biochemistry, Karpagam University, Eachanari, Coimbatore, Tamil Nadu, India.
authors.forename: Palanisamy Chella
authors.initials: PC
authors.lastname: Perumal
authors.affiliation: Department of Bioinformatics, Karpagam University, Eachanari, Coimbatore, Tamil Nadu, India.
authors.forename: Sundaram
authors.initials: S
authors.lastname: Sowmya
authors.affiliation: Department of Biochemistry, Karpagam University, Eachanari, Coimbatore, Tamil Nadu, India.
authors.forename: Prabhakaran
authors.initials: P
authors.lastname: Pratibha
authors.affiliation: Department of Bioinformatics, Karpagam University, Eachanari, Coimbatore, Tamil Nadu, India.
authors.forename: Balasubramanian
authors.initials: B
authors.lastname: Vidya
authors.affiliation: Department of Bioinformatics, Karpagam University, Eachanari, Coimbatore, Tamil Nadu, India.
authors.forename: Palanirajan
authors.initials: P
authors.lastname: Anusooriya
authors.affiliation: Department of Biochemistry, Karpagam University, Eachanari, Coimbatore, Tamil Nadu, India.
authors.forename: Thangarajan
authors.initials: T
authors.lastname: Starlin
authors.affiliation: Department of Chemistry, Karpagam University, Eachanari, Coimbatore, Tamil Nadu, India.
authors.forename: Subban
authors.initials: S
authors.lastname: Ravi
authors.affiliation: Department of Biochemistry, Karpagam University, Eachanari, Coimbatore, Tamil Nadu, India ; Department of Bioinformatics, Karpagam University, Eachanari, Coimbatore, Tamil Nadu, India.
authors.forename: Velliyur Kanniappan
authors.initials: VK
authors.lastname: Gopalakrishnan
keywords: Cayratia trifolia (L.); Chromatography techniques; Linoleic acid and ADME properties; Spectroscopy methods