The 100 hit extracts from WP2, will go on for metabolomics analysis in WP3. For the metabolomics, the LC-HRMS of all ~100 extracts will be recorded and co-evaluated with other parameters, classified and ~10 representative extracts from all clusters will be selected for further investigation. The respective strains will be cultivated in lab scale using solid phase or liquid submerged bio-fermenters. Biomass will be extracted and extracts will go on to further chemical investigation in WP3.
At the next stage dereplication techniques will play an important role for the targeted isolation of bioactive molecules out of the ~10 selected extracts. Dereplication will save time and costs and will lead to the targeted isolation of novel components with potential cosmeceutical applications.
The isolation of the compounds could be performed with classical chromatographic methods (such as CC, MPLC, HPLC), but also more innovative techniques will be applied. These techniques will include CPC, as well as the SFC-MS, both considered “environmentally friendly” purification techniques. Then for all isolated compounds the full set of spectroscopic data (UV-Vis, IR, HRMSn, 1D&2D NMR) will be recorded for the unambiguous structure elucidation. All the molecules isolated will go for a full set of biological trials (see WP2). In order to strengthen even more the correct selection of hit-molecules, at this stage, all isolated molecules will also be evaluated concerning their physicochemical properties, as well as their ability to permeate the skin, which is a critical issue for the success of a cosmeceutical product.