SArticleMetabolomic Profiling and Antioxidant Activities of Breonadia salicina Utilizing 1H-NMR and UPLC-QTOF-MS AnalysisDorcas B. Tlhapi

SArticleMetabolomic Profiling and Antioxidant Activities of Breonadia salicina Utilizing 1H-NMR and UPLC-QTOF-MS AnalysisDorcas B. Tlhapi 1 , Isaiah D. I. Ramaite 1, and Chinedu P. AnokwuruDepartment of Chemistry, University of Venda, Private Bag X5050, Thohoyandou 0950, South Africa; [email protected] Division of Pharmaceutical Sciences, Faculty of Science, Tshwane University of Technologies, Pretoria 0001, South Africa; [email protected] Correspondence: [email protected]; Tel.: 27-(0)-15-962-Citation: Tlhapi, D.B.; Ramaite, I.D.I.; Anokwuru, C.P. Metabolomic Profiling and Antioxidant Activities of Breonadia salicina Employing 1 H-NMR and UPLC-QTOF-MS Analysis. Molecules 2021, 26, 6707. https:// doi.org/10.3390/molecules26216707 Academic Editor: Petras Rimantas Venskutonis Received: 15 September 2021 Accepted: two November 2021 Published: 5 NovemberPublisher’s Note: MDPI stays neutral with regard to jurisdictional claims in published maps and institutional affiliations.Copyright: 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is definitely an open access write-up distributed beneath the terms and circumstances on the Creative Commons Attribution (CC BY) license (https:// creativecommons.org/licenses/by/ four.0/).Abstract: Breonadia salicina (Vahl) Hepper and J.R.I. Wood is broadly applied in South Africa and some other African countries for therapy of many infectious illnesses like diarrhea, fevers, cancer, diabetes and malaria. However, small is identified in regards to the active constituents related with the biological activities. This study is aimed at exploring the metabolomics profile and antioxidant constituents of B. salicina. The chemical profiles in the leaf, stem bark and root of B. salicina have been comprehensively characterized working with proton nuclear magnetic resonance (1 H-NMR) spectroscopy and ultra-performance liquid chromatography with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS). The antioxidant activities from the crude extracts, fractions and pure compounds were determined applying the DPPH (2,2-diphenyl-1-picrylhydrazyl) free of charge radical scavenging and lowering power assays. A total of 25 compounds have been tentatively identified using the UPLC-QTOF-MS. Furthermore, the 1 H-NMR fingerprint revealed that the different parts of plant had variations and similarities amongst the distinctive crude JPH203 custom synthesis extracts and fractions. The crude extracts and fractions on the root, stem bark and leaf showed the presence of -glucose, -glucose, glucose and fructose. On the other hand, catechin was not located in the stem bark crude extracts but was found in the fractions of the stem bark. Lupeol was present only within the root crude extract and fractions with the stem bark. In addition, 5-O-caffeoylquinic acid was identified within the methanol leaf extract and its respective fractions, while the crude extracts and fractions from the root and dichloromethane leaf revealed the presence of hexadecane. Column chromatography and preparative thin-layer chromatography had been made use of to isolate kaempferol 3-O-(2 -O-galloyl)-glucuronide, lupeol, D-galactopyranose, bodinioside Q, 5-O-caffeoylquinic acid, sucrose, hexadecane and palmitic acid. The crude methanol stem bark showed the highest antioxidant activity within the DPPH (2,2-diphenyl-1-picrylhydrazyl) no cost radical scavenging activity with an IC50 value of 41.7263 7.6401 /mL, FAUC 365 medchemexpress whereas the root crude extract had the highest lowering energy activity with an IC0.5 value of 0.1481 0.1441 /mL. In addition, the 1 H-NMR and UPLC-Q.