Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study

Authors

  • Morgana A Freitas Centro Universitário Christus (UNICHRISTUS)
  • Raynara I. A Machado Universidade Federal do Rio Grande do Norte
  • Isabelle H. M. Rocha Centro Universitário Christus (UNICHRISTUS)
  • Lorena S. Lima Centro Universitário Christus (UNICHRISTUS)
  • Lucas P. Coutinho Universidade Federal do Ceará (UFC)
  • Norberto K. V. Monteiro Universidade Federal do Ceará (UFC)
  • Pedro L. Neto Universidade Federal do Ceará (UFC)
  • Selma E. Mazzetto Universidade Federal do Ceará (UFC)
  • Hugo A. O. Rocha Universidade Federal do Rio Grande do Norte (UFRN)
  • Richele J. A Machado Centro Universitário Christus (UNICHRISTUS)

DOI:

https://doi.org/10.12662/2317-3076jhbs.v10i1.3859.p1-10.2022

Keywords:

Bioactive Compounds, Antioxidant Activities, Density Functional Theory, Frontier Molecular Orbitals

Abstract

Objectives: Evaluation of phenolic compounds and antioxidant activities of aqueous extracts of C. longa, P. nigrum and C. cyminum. In addition to proposing a quantum-mechanical model to evaluate the antioxidant activity. Methods: The aqueous extracts were prepared using roots of the Curcuma longa L., seeds of the Piper nigrum L. and seeds of Cuminum cyminum. The extracts were subjected to tests to detect and quantify phenolic compounds and to assess their antioxidant capacity by different methods. Furthermore, to investigate the electronic nature of the antioxidant activity of the main compounds present in these extracts, frontier molecular orbitals (FMOs) were obtained by the DFT/B3LYP/6-31G(d,p) level of theory. Results: After statistical analysis of the results, a greater number of phenolic compounds and better antioxidant activity was identified in the aqueous extracts of cumin (C. cyminum) in all three assays performed, when compared to the other extracts tested. The theoretical model based on the Pietro method is in agreement with the experimental results. Conclusion: This study has an innovative proposal with the trivial antioxidant activity combined with theoretical quantum-mechanical calculations that can serve to reduce costs and time and to predict the antioxidant activity of subsequent studies.

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Published

2022-04-06

How to Cite

1.
Freitas MA, Machado RIA, Rocha IHM, Lima LS, Coutinho LP, Monteiro NKV, et al. Determination of phenolic compounds and antioxidant potential of aqueous extracts of Curcuma longa L., Piper nigrum L. and Cuminum cyminum: an experimental and a quantum-mechanical study. J Health Biol Sci. [Internet]. 2022 Apr. 6 [cited 2024 Dec. 23];10(1):1-10. Available from: https://unichristus.emnuvens.com.br/jhbs/article/view/3859

Issue

Vol. 10 No. 1 (2022): Journal of Health and Biological Sciences

Section

Original articles

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