Chemometrics of the Composition and Antioxidant Capacity of Hyptis crenata Essential Oils from Brazil

Molecules. 2023 Apr 11;28(8):3371. doi: 10.3390/molecules28083371.

Abstract

Hyptis crenata (Pohl) ex Benth is used in traditional medicine as an analgesic to treat general pain. Six Hyptis crenata samples (Hc-1 to Hc-6) were collected in Pará state, Brazil. The leaf essential oils were obtained by hydrodistillation, and GC-MS and GC-FID were used to analyze their chemical compositions. The antioxidant capacity was measured in vitro using DPPH and carotene/linoleic acid assays. Chemometrics analysis (PCA, HCA, and clustered heat map) were used to identify the sample relationships between those collected in this study and those from the literature (Hc-7 to Hc-16) samples. According to the main chemical constituents identified in the samples described in this work and the literature, the sixteen samples were classified into ten groups. Group I was characterized by 1,8-cineole (31.0%), α-pinene (13.6%), (E)-caryophyllene (7.8%), and β-pinene (7.6%); and Group IV was characterized by 1,8-cineole (17.4-23.5%), α-pinene (15.7-23.5%), β-pinene (10.5-13.4%), and limonene (8.5-9.7%). Both groups are described for the first time. The total antioxidant capacity was expressed in Trolox Equivalent Antioxidant Capacity values (TEAC): TEAC of Hc-5 (551.9 mg.TE/g) and Hc-6 (475.1 mg.TE/g). In the β-carotene/linoleic acid assay, the highest inhibition was from Hc-2 (40.0%), Hc-6 (39.0%), and Hc-3 (29.4%).

Keywords: DPPH; monoterpenes; multivariate analysis; sesquiterpenes; volatiles.

MeSH terms

  • Antioxidants / chemistry
  • Antioxidants / pharmacology
  • Brazil
  • Chemometrics
  • Eucalyptol
  • Hyptis* / chemistry
  • Linoleic Acid
  • Oils, Volatile* / chemistry
  • Oils, Volatile* / pharmacology

Substances

  • Oils, Volatile
  • beta-pinene
  • alpha-pinene
  • Antioxidants
  • Eucalyptol
  • Linoleic Acid

Grants and funding

This research was funded by the PAPQ (Programa de Apoio à Publicação Qualificada), Propesp, UFPA.