Isolation, structural characterization and in silico drug-like properties prediction of a natural compound from the ethanolic extract of Cayratia trifolia (L.)
Palanisamy Chella Perumal1, Sundaram Sowmya2, Prabhakaran Pratibha1, Balasubramanian Vidya2, Palanirajan Anusooriya2, Thangarajan Starlin1, Subban Ravi3, Velliyur Kanniappan Gopalakrishnan1,2★★ Corresponding author
- 1Departments of Biochemistry
- 2Departments of Bioinformatics
- 3Chemistry, Karpagam University, Eachanari, Coimbatore, Tamil Nadu, India
CORRESPONDENCE
Velliyur Kanniappan Gopalakrishnan
*Address for correspondence: Dr. V. K. Gopalakrishnan, Departments of Biochemistry and Bioinformatics, Karpagam University, Coimbatore - 641 021, Tamil Nadu, India.
Revised: 13-07-2014.
Volume 7, Issue 1 · pp. 121–125 · PUBLISHED January-March 2015 · DOI: 10.4103/0974-8490.147226
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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. Materials and 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 1H, 13C, 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. 1H, 13C, 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. Conclusion Based on the results, it can be concluded that, the isolated natural compound of linoleic acid that has been exhibited good medicinal properties.
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Perumal, P. C., Sowmya, S., Pratibha, P., Vidya, B., Anusooriya, P., Starlin, T., Ravi, S., & Gopalakrishnan, V. K. (2015). Isolation, structural characterization and in silico drug-like properties prediction of a natural compound from the ethanolic extract of Cayratia trifolia (L.). Pharmacognosy Research, 7(1), 121–125. https://doi.org/10.4103/0974-8490.147226