Multivariate data analysis to evaluate the fingerprint peaks responsible for the cytotoxic activity of Mallotus species

The Mallotus genus comprises numerous species used as traditional medicines in oriental countries and provides scientists a broad basis in the search for pharmacologically active constituents. In this paper, the cytotoxicity of 39 Mallotus extracts, different in species, part of the plant used, origin, and harvest season, is evaluated combining cytotoxicity assays with fingerprint technology and data handling tools. At first, the antiproliferative activity of the plant extracts is analyzed both on a non-cancerous cell line (WI-38 – human lung fibroblast) and on a cancerous cell line (HeLa human cervix carcinoma). The results are linked to a data set of high-performance liquid chromatographic fingerprint profiles of the samples using multivariate calibration techniques. The regression coefficients of the multivariate model are then evaluated to indicate those peaks potentially responsible for the cytotoxic activity of the Mallotus extracts. In a final step, the cytotoxic extracts are analyzed by HPLC–MS and the indicated peaks identified.

► Indication of peaks responsible for the cytotoxic activity of Mallotus species (O-PLS).
► Cytotoxic activity tests on cancerous and non-cancerous cell lines.
► Evaluation of the multivariate model prior and after alignment of the fingerprints.
► LC–MS analyses of the indicated peaks.