Next Article in Journal
In Vivo Antimalarial Activity of Leaf Extracts and a Major Compound Isolated from Ranunculus multifidus Forsk
Next Article in Special Issue
1H NMR Combined with Multivariate Statistics for Discrimination of Female and Male Flower Buds of Populus tomentosa
Previous Article in Journal
The Peripheral Cannabinoid Receptor Type 1 (CB1) as a Molecular Target for Modulating Body Weight in Man
Previous Article in Special Issue
Mass Spectrometry and 1H-NMR Study of Schinopsis lorentzii (Quebracho) Tannins as a Source of Hypoglycemic and Antioxidant Principles
 
 
Article

Identification of Antiprotozoal Compounds from Buxus sempervirens L. by PLS-Prediction

1
Institute of Pharmaceutical Biology and Phytochemistry (IPBP), PharmaCampus, University of Münster, Corrensstraße 48, D-48149 Münster, Germany
2
Swiss Tropical and Public Health Institute (Swiss TPH), Socinstrasse 57, CH-4051 Basel, Switzerland
3
University of Basel, Petersplatz 1, CH-4003 Basel, Switzerland
*
Author to whom correspondence should be addressed.
Academic Editors: Vera Muccilli, Monica Scognamiglio and Julien Wist
Molecules 2021, 26(20), 6181; https://doi.org/10.3390/molecules26206181
Received: 11 September 2021 / Revised: 1 October 2021 / Accepted: 8 October 2021 / Published: 13 October 2021
Various nor-triterpene alkaloids of Buxus (B.) sempervirens L. have shown remarkable in vitro activity against the causative agents of tropical malaria and East African sleeping sickness. To identify further antiprotozoal compounds of this plant, 20 different fractions of B. sempervirens L., exhibiting a wide range of in vitro bioactivity, were analyzed by UHPLC/+ESI-QqTOF-MS/MS. The analytical profiles were investigated by partial least squares regression (PLS) for correlations between the intensity of LC/MS signals, bioactivity and cytotoxicity. The resulting models highlighted several compounds as mainly responsible for the antiprotozoal activity and thus, worthwhile for subsequent isolation. These compounds were dereplicated based on their mass spectra in comparison with isolated compounds recently reported by us and with literature data. Moreover, an estimation of the cytotoxicity of the highlighted compounds was derived from an additional PLS model in order to identify plant constituents with strong selectivity. In conclusion, high levels of antitrypanosomal and antiplasmodial activity were predicted for eight and four compounds, respectively. These include three hitherto unknown constituents of B. sempervirens L., presumably new natural products. View Full-Text
Keywords: Buxus sempervirens L.; nor-cycloartane alkaloids; antiprotozoal activity; multivariate data analysis; partial least squares regression; mass spectrometry; fragmentation pattern Buxus sempervirens L.; nor-cycloartane alkaloids; antiprotozoal activity; multivariate data analysis; partial least squares regression; mass spectrometry; fragmentation pattern
Show Figures

Figure 1

MDPI and ACS Style

Szabó, L.U.; Kaiser, M.; Mäser, P.; Schmidt, T.J. Identification of Antiprotozoal Compounds from Buxus sempervirens L. by PLS-Prediction. Molecules 2021, 26, 6181. https://doi.org/10.3390/molecules26206181

AMA Style

Szabó LU, Kaiser M, Mäser P, Schmidt TJ. Identification of Antiprotozoal Compounds from Buxus sempervirens L. by PLS-Prediction. Molecules. 2021; 26(20):6181. https://doi.org/10.3390/molecules26206181

Chicago/Turabian Style

Szabó, Lara U., Marcel Kaiser, Pascal Mäser, and Thomas J. Schmidt. 2021. "Identification of Antiprotozoal Compounds from Buxus sempervirens L. by PLS-Prediction" Molecules 26, no. 20: 6181. https://doi.org/10.3390/molecules26206181

Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop