Natural products targeting strategies involving molecular networking: different manners, one goal

AEF Ramos, L Evanno, E Poupon, P Champy… - Natural product …, 2019 - pubs.rsc.org
Covering: up to 2019 Landmark advances in bioinformatics tools have recently enhanced
the field of natural products research, putting today's natural product chemists in the …

Chemometric-guided approaches for profiling and authenticating botanical materials

EJ Abraham, JJ Kellogg - Frontiers in Nutrition, 2021 - frontiersin.org
Botanical supplements with broad traditional and medicinal uses represent an area of
growing importance for American health management; 25% of US adults use dietary …

Comparison of the variable importance in projection (VIP) and of the selectivity ratio (SR) methods for variable selection and interpretation

M Farrés, S Platikanov, S Tsakovski… - Journal of …, 2015 - Wiley Online Library
This study compares the application of two variable selection methods in partial least
squares regression (PLSR), the variable importance in projection (VIP) method and the …

The ferric reducing/antioxidant power (FRAP) assay for non‐enzymatic antioxidant capacity: concepts, procedures, limitations and applications

IFF Benzie, M Devaki - … of antioxidant activity & capacity: Recent …, 2018 - Wiley Online Library
This chapter presents concepts, technical tips and calculations, along with some illustrative
examples of how the ferric reducing/antioxidant power (FRAP) assay has been applied in …

Total phenolic content, antioxidant activity and toxicity of aqueous extracts from selected Greek medicinal and aromatic plants

E Skotti, E Anastasaki, G Kanellou, M Polissiou… - Industrial Crops and …, 2014 - Elsevier
In this study, the total phenolic content, the antioxidant activity and toxicity of selected Greek
medicinal aromatic namely Melissa officinalis L., Origanum vulgare L., Origanum dictamnus …

Biochemometrics for natural products research: comparison of data analysis approaches and application to identification of bioactive compounds

JJ Kellogg, DA Todd, JM Egan, HA Raja… - Journal of natural …, 2016 - ACS Publications
A central challenge of natural products research is assigning bioactive compounds from
complex mixtures. The gold standard approach to address this challenge, bioassay-guided …

Variation Among Biosynthetic Gene Clusters, Secondary Metabolite Profiles, and Cards of Virulence Across Aspergillus Species

JL Steenwyk, ME Mead, SL Knowles, HA Raja… - Genetics, 2020 - academic.oup.com
Variation Among Biosynthetic Gene Clusters, Secondary Metabolite Profiles, and Cards of
Virulence Across Aspergillus Species | Genetics | Oxford Academic Skip to Main Content …

Opportunities and limitations for untargeted mass spectrometry metabolomics to identify biologically active constituents in complex natural product mixtures

LK Caesar, JJ Kellogg, OM Kvalheim… - Journal of natural …, 2019 - ACS Publications
Compounds derived from natural sources represent the majority of small-molecule drugs
utilized today. Plants, owing to their complex biosynthetic pathways, are poised to …

Hierarchical cluster analysis of technical replicates to identify interferents in untargeted mass spectrometry metabolomics

LK Caesar, OM Kvalheim, NB Cech - Analytica chimica acta, 2018 - Elsevier
Mass spectral data sets often contain experimental artefacts, and data filtering prior to
statistical analysis is crucial to extract reliable information. This is particularly true in …

Biochemometrics to Identify Synergists and Additives from Botanical Medicines: A Case Study with Hydrastis canadensis (Goldenseal)

ER Britton, JJ Kellogg, OM Kvalheim… - Journal of natural …, 2017 - ACS Publications
A critical challenge in the study of botanical natural products is the difficulty of identifying
multiple compounds that may contribute additively, synergistically, or antagonistically to …