The Free Radical Scavenging Property of the Leaves, Branches, and Roots of <i>Mansoa hirsuta</i> DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study
Patrícia e Silva Alves,
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
Affiliations
Patrícia e Silva Alves
Post-Graduation Department in Chemistry, Federal University of Piauí, Teresina 64000-040, Brazil
Gagan Preet
Marine Biodiscovery Centre, Department of Chemistry, University of Aberdeen, Aberdeen AB24 3UE, UK
Leandro Dias
Nucleus of Applied Research to Sciences (NIAC), Federal Institute of Maranhão, Campus Presidente Dutra, Presidente Dutra 65630-000, Brazil
Maria Oliveira
Post-Graduation Department in Chemistry, Federal University of Piauí, Teresina 64000-040, Brazil
Rafael Silva
Institute of Chemistry, São Paulo State University, Araraquara 14800-900, Brazil
Isione Castro
Department of Pharmaceutical Sciences, Federal University of Piauí, Teresina 64049-550, Brazil
Giovanna Silva
Nucleus of Applied Research to Sciences (NIAC), Federal Institute of Maranhão, Campus Presidente Dutra, Presidente Dutra 65630-000, Brazil
Joaquim Júnior
Department of Chemistry, Federal Institute of Piaui, Teresina 64000-040, Brazil
Nerilson Lima
Chemistry Institute, Campus Samambaia, Federal University of Goias, Goiania 74690-900, Brazil
Dulce Helena Silva
Institute of Chemistry, São Paulo State University, Araraquara 14800-900, Brazil
Teresinha Andrade
Nucleus of Applied Research to Sciences (NIAC), Federal Institute of Maranhão, Campus Presidente Dutra, Presidente Dutra 65630-000, Brazil
Marcel Jaspars
Marine Biodiscovery Centre, Department of Chemistry, University of Aberdeen, Aberdeen AB24 3UE, UK
Chistiane Feitosa
Post-Graduation Department in Chemistry, Federal University of Piauí, Teresina 64000-040, Brazil
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 IC50 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.
