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. 2015 Jan-Mar;7(1):121-5.
doi: 10.4103/0974-8490.147226.

Isolation, structural characterization and in silico drug-like properties prediction of a natural compound from the ethanolic extract of Cayratia trifolia (L.)

Palanisamy Chella Perumal  1 , Sundaram Sowmya  2 , Prabhakaran Pratibha  1 , Balasubramanian Vidya  2 , Palanirajan Anusooriya  2 , Thangarajan Starlin  1 , Subban Ravi  3 , Velliyur Kanniappan Gopalakrishnan  4
Affiliations

Isolation, structural characterization and in silico drug-like properties prediction of a natural compound from the ethanolic extract of Cayratia trifolia (L.)

Palanisamy Chella Perumal et al. Pharmacognosy Res. 2015 Jan-Mar.

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 (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.

Conclusion: Based on the results, it can be concluded that, the isolated natural compound of linoleic acid that has been exhibited good medicinal properties.

Keywords: Cayratia trifolia (L.); Chromatography techniques; Linoleic acid and ADME properties; Spectroscopy methods.

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Conflict of interest statement

Conflict of Interest: None declared.

Figures

Figure 1
Figure 1
Thin layer chromatography (TLC) analysis of the isolated natural compound
Figure 2
Figure 2
Fourier Transform infra-red spectroscopy analysis of the isolated natural compound
Figure 3
Figure 3
1H NMR spectrum analysis of the isolated natural compound
Figure 4
Figure 4
H–H COSY spectrum analysis of the isolated natural compound
Figure 5
Figure 5
13C NMR spectrum analysis of the isolated natural compound
Figure 6
Figure 6
C–H HSQC spectrum analysis of the isolated natural compound
Figure 7
Figure 7
Mass spectrometry result of isolated natural compound
Figure 8
Figure 8
Structure of linoleic acid
See this image and copyright information in PMC

References

    1. Jacob SJ, Shenbagaraman S. Evaluation of antioxidant and antimicrobial activities of the selected green leafy vegetables. Int J PharmTech Res. 2011;3:148–52.
    1. Deshpande HA, Bhalsing SR. Phytochemical analysis of Cassia obtusifolia, Cassia auriculata, Tephrosia purpurea, Helictres isora and Centella asiatica. Int J Pharma Bio Sci. 2011;2:363–7.
    1. Chhetri HP, Yogol NS, Sherchan J, Anupa KC, Mansoor S, Thapa P. Phytochemical and antimicrobial evaluations of some medicinal plants of Nepal. Kathmandu Univ J Sci Eng Technol. 2008;1:49–54.
    1. Stepp JR, Moerman DE. The importance of weeds in ethnopharmacology. J Ethnopharmacol. 2001;75:19–23. - PubMed
    1. Tiwari AK, Rao M. Diabetes mellitus and multiple therapeutic approaches of phytochemicals: Present status and future prospects. Curr Sci. 2002;83:30–8.