A chemometric approach to the quality control of Sutherlandia (cancer bush) Debabrata Acharya, Gill Enslin, Weiyang Chen, Maxleene Sandasi, Thandazile Mavimbela, Alvaro Viljoen * Department of Pharmaceutical Sciences, Faculty of Science, Tshwane University of Technology, Private Bag X680, Pretoria 0001, South Africa article info Article history: Received 15 April 2014 Accepted 14 June 2014 Available online Keywords: Sutherlandia frutescens Sutherlandia microphylla Chemometrics UPLCeMS Metabolomics abstract Sutherlandia frutescens (Fabaceae) commonly known as cancer-bush, is a well-known traditional phytomedicine in South Africa used to treat a range of ailments. There is limited information available on the phytochemistry and chemical variation within and between the S. frutescens and Sutherlandia microphylla species complex. This paper aims to elucidate the chemical variation of phytoconstituents (other than the non-protein amino acids) between the two species S. frutescens and S. microphylla and also between the wild and cultivated varieties of S. frutescens. An UPLCeMS analysis in tandem with chemometric analysis has been performed to assess the metabolite content of aerial plant parts obtained from different populations. Principal component analysis (PCA) was performed to observe groupings and trends in the data matrix. An orthogonal partial least square discriminant analysis (OPLS-DA) was performed which resulted in clear groups between the two taxa. Several flavonoid and triterpenoid glycoside derivatives contribute to the quantitative chemotypic variation within and between the species as observed. The identification of these compounds using advanced chromatographic techniques (UPLCeMS) and chemo- metric analysis leads to a better understanding of the phytochemical variation of Suther- landia which can aid in quality control of raw material, phytomedicines and commercial herbal products. © 2014 Elsevier Ltd. All rights reserved. 1. Introduction Sutherlandia frutescens (L.) R.Br. is indigenous to southern Africa and mainly found in South Africa, Namibia, Botswana and Zimbabwe. Three subspecies and several regional forms showing genetic and chemical variation have been recognised. S. frutescens (cancer bush), also known as Lessertia frurescens, is extensively used in South Africa in the traditional medicine system to treat various ailments such as cancer, diabetes, stress, fever, colds and wounds (Chadwick et al., 2007; Chinkwo, 2005; Faleschini et al., 2013; Fasinu et al., 2013; Fernandes et al., 2004; Harnett et al., 2005; Kundu et al., 2005). De- coctions and infusions of this plant are traditionally used to treat gastrointestinal ailments, such as stomach aches and in- testinal ailments. It is also used for treating eye troubles and is applied topically in the treatment of chickenpox lesions, haemorrhoids and inflamed wounds (Moshe et al., 1998; Van Wyk and Albrecht, 2008). It is commonly called “Pethora (this * Corresponding author. E-mail addresses: SandasiM@tut.ac.za (M. Sandasi), viljoenam@tut.ac.za (A. Viljoen). Contents lists available at ScienceDirect Biochemical Systematics and Ecology journal homepage: www.elsevier.com/locate/biochemsyseco http://dx.doi.org/10.1016/j.bse.2014.06.009 0305-1978/© 2014 Elsevier Ltd. All rights reserved. Biochemical Systematics and Ecology 56 (2014) 221e230