The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study.

Patrícia E Silva Alves* (Corresponding Author), Gagan Preet, Leandro Dias, Maria Oliveira, Rafael Silva, Isione Castro, Giovanna Silva, Joaquim Júnior, Nerilson Lima, Dulce Helena Silva, Teresinha Andrade, Marcel Jaspars, Chistiane Feitosa

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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Abstract

In this work, a metabolic profile of Mansoa hirsuta was investigated, and in vitro assays and theoretical approaches were carried out to evaluate its antioxidant potential. The phytochemical screening detected saponins, organic acids, phenols, tannins, flavonoids, and alkaloids in extracts of leaves, branches, and roots. Through LC-MS analysis, the triterpenes oleanolic acid ( m/ z 455 [M-H] -) and ursolic acid ( m/ z 455 [M-H] -) were identified as the main bioactive components. The extracts of the leaves, branches, and roots revealed moderate antioxidant potential in the DPPH test and all extracts were more active in the ABTS test. The leaf extracts showed better antioxidant capacity, displaying IC 50 values of 43.5 ± 0.14, 63.6 ± 0.54, and 56.1 ± 0.05 µg mL -1 for DPPH, ABTS, and kinetics assays, respectively. The leaf extract showed higher total flavonoid content (TFC) (5.12 ± 1.02 mg QR/g), followed by branches (3.16 ± 0.88 QR/g) and roots (2.04 ± 0.52 QR/g/g). The extract of the branches exhibited higher total phenolic content (TPC) (1.07 ± 0.77 GAE/g), followed by leaves (0.58 ± 0.30 GAE/g) and roots (0.19 ± 0.47 GAE/g). Pharmacophore and molecular docking analysis were performed in order to better understand the potential mechanism of the antioxidant activity of its major metabolites.

Original languageEnglish
Article number6016
Number of pages22
JournalMolecules
Volume27
Issue number18
Early online date15 Sept 2022
DOIs
Publication statusPublished - 15 Sept 2022

Bibliographical note

Funding: This work was carried out with the support of FAPEMA, IFMA (23249.031946.2020-62) (23249.020554.2022-30), Cactvs Institution of Payments SA and of Cactvs Educa—Masters and Doctorate Scholarships and Cnpq 316647/2020-9.

Data Availability Statement

Supplementary Materials: The following are available online at https://www.mdpi.com/article/10.3390/molecules27186016/s1, Figure S1: Analytical chromatograms of methanol extract of M. hirsuta by HPLC-PDA, gradient mode in 65.5 min, injected sample solution 1 mg. mL−1, flow 1 mL. min−1, C18 reverse phase column, detection at wavelengths 254 nm, 280 nm and 366 nm, a leaves, b branches and c roots, Figure S2: UV spectra at wavelengths in the range of 200 nm to 334 nm at the retention time 16.12min, 17.80min and 15.05min respectively. a leaves, b branches and c roots, Figure S3: Spectra (A) leaves (B) branches (3) and (C) roots with the corresponding m/z fragments in the negative ionization mode of oleonolic and ursolic acid, Figure S4: 1H NMR spectra (DMSO-d6, 600 MHz) of methanol extract of leaves, branches and roots of M. hirsuta, Figure S5: Standard curve of total phenols from M. hirsuta extracts.

Keywords

  • Alkaloids
  • Antioxidants/analysis
  • Benzothiazoles
  • Bignoniaceae/chemistry
  • Flavonoids/analysis
  • Free Radicals
  • Molecular Docking Simulation
  • Oleanolic Acid
  • Phenols/analysis
  • Phytochemicals/analysis
  • Plant Extracts/chemistry
  • Plant Leaves/chemistry
  • Saponins
  • Sulfonic Acids
  • Tannins
  • Triterpenes
  • Mansoa hirsuta
  • antioxidant
  • oxidative stress
  • triterpenes
  • pharmacophore
  • molecular docking

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