6 research outputs found
Screening of natural molecules of cosmetic interest by combining analytical, bioinformatic and metabolomic tools
Les produits naturels d'origine vĂ©gĂ©tale sont devenus une source majeure de composĂ©s bioactifs pour les industries cosmĂ©tiques. Cependant, la dĂ©termination du principe actif, c'est-Ă -dire l'identification, l'isolement et le test de chaque molĂ©cule, est complexe, longue et fastidieuse compte tenu de la diversitĂ© molĂ©culaire des extraits. Dans ce contexte, ces travaux de thĂšse portent sur la combinaison dâoutils analytiques, bioinformatiques et mĂ©tabolomiques dans le but de dĂ©velopper des approches simples, rapides et efficaces pour cibler et identifier des molĂ©cules dâintĂ©rĂȘt. Par consĂ©quent, ces travaux ont conduit dâabord Ă la mise en place de rĂ©seaux molĂ©culaires quantitatifs afin dâĂ©tudier lâaccumulation de mĂ©tabolites spĂ©cialisĂ©s dans des cals cellulaires de lin. Ensuite, au dĂ©veloppement dâune Ă©tude mĂ©tabolomique par UHPLC-HRMS, associĂ©e aux informations de dĂ©rĂ©plication et de similaritĂ©s structurales obtenues par les rĂ©seaux molĂ©culaires afin de mettre en Ă©vidence les variations chimiques par des analyses statistiques, et de caractĂ©riser les composĂ©s discriminants de deux extraits de plante Ă diffĂ©rents stades de dĂ©veloppement. Enfin, Ă lâassociation des rĂ©seaux molĂ©culaires et du fractionnement des extraits par chromatographie de partage centrifuge pour la caractĂ©risation phytochimique de deux extraits de plante ayant montrĂ© des propriĂ©tĂ©s dâintĂ©rĂȘt pour des applications cosmĂ©tiques par des tests chimiques, enzymatiques et cellulaires. Cette combinaison a permis dâobtenir et de tester des fractions simplifiĂ©es facilitant ainsi le criblage et l'identification des molĂ©cules responsables de lâactivitĂ© biologique des extraits de plante Ă©tudiĂ©s.Natural products of plant origin have emerged a major source of bioactive compounds for the cosmetic industry. However, the determination of the active ingredient, i.e. identification, isolation and testing of each molecule, is complex, long and tedious taking into account molecular diversity of the extracts. In this context, this PhD work focuses on the combination of analytical, bioinformatic and metabolomic tools in order to develop simple, rapid and efficient approaches to target and identify molecules of interest. Consequently, this work initially conduced to the implementation of quantitative molecular networks in order to study the accumulation of specialized metabolites in flax cell callus. Then, to develop a metabolomic study by UHPLC-HRMS, associated with the information of dereplication and structural similarities obtained by molecular networks in order to highlight chemical variations by statistical analyses, and to characterize the discriminating compounds of two plants extracts at different stages of development. Finally, to establish a combination of molecular networks and fractionation by centrifugal partition chromatography for the phytochemical characterization of two plant extracts having shown biological properties interesting for cosmetic applications by chemical, enzymatic and cellular assays. This combination made it possible to obtain and test simplified fractions thus facilitating the screening and identification of the molecules responsible for the biological activity of studied plant extracts
Criblage de molĂ©cules naturelles dâintĂ©rĂȘt cosmĂ©tique par combinaison dâoutils analytiques, bioinformatiques et mĂ©tabolomiques
Natural products of plant origin have emerged a major source of bioactive compounds for the cosmetic industry. However, the determination of the active ingredient, i.e. identification, isolation and testing of each molecule, is complex, long and tedious taking into account molecular diversity of the extracts. In this context, this PhD work focuses on the combination of analytical, bioinformatic and metabolomic tools in order to develop simple, rapid and efficient approaches to target and identify molecules of interest. Consequently, this work initially conduced to the implementation of quantitative molecular networks in order to study the accumulation of specialized metabolites in flax cell callus. Then, to develop a metabolomic study by UHPLC-HRMS, associated with the information of dereplication and structural similarities obtained by molecular networks in order to highlight chemical variations by statistical analyses, and to characterize the discriminating compounds of two plants extracts at different stages of development. Finally, to establish a combination of molecular networks and fractionation by centrifugal partition chromatography for the phytochemical characterization of two plant extracts having shown biological properties interesting for cosmetic applications by chemical, enzymatic and cellular assays. This combination made it possible to obtain and test simplified fractions thus facilitating the screening and identification of the molecules responsible for the biological activity of studied plant extracts.Les produits naturels d'origine vĂ©gĂ©tale sont devenus une source majeure de composĂ©s bioactifs pour les industries cosmĂ©tiques. Cependant, la dĂ©termination du principe actif, c'est-Ă -dire l'identification, l'isolement et le test de chaque molĂ©cule, est complexe, longue et fastidieuse compte tenu de la diversitĂ© molĂ©culaire des extraits. Dans ce contexte, ces travaux de thĂšse portent sur la combinaison dâoutils analytiques, bioinformatiques et mĂ©tabolomiques dans le but de dĂ©velopper des approches simples, rapides et efficaces pour cibler et identifier des molĂ©cules dâintĂ©rĂȘt. Par consĂ©quent, ces travaux ont conduit dâabord Ă la mise en place de rĂ©seaux molĂ©culaires quantitatifs afin dâĂ©tudier lâaccumulation de mĂ©tabolites spĂ©cialisĂ©s dans des cals cellulaires de lin. Ensuite, au dĂ©veloppement dâune Ă©tude mĂ©tabolomique par UHPLC-HRMS, associĂ©e aux informations de dĂ©rĂ©plication et de similaritĂ©s structurales obtenues par les rĂ©seaux molĂ©culaires afin de mettre en Ă©vidence les variations chimiques par des analyses statistiques, et de caractĂ©riser les composĂ©s discriminants de deux extraits de plante Ă diffĂ©rents stades de dĂ©veloppement. Enfin, Ă lâassociation des rĂ©seaux molĂ©culaires et du fractionnement des extraits par chromatographie de partage centrifuge pour la caractĂ©risation phytochimique de deux extraits de plante ayant montrĂ© des propriĂ©tĂ©s dâintĂ©rĂȘt pour des applications cosmĂ©tiques par des tests chimiques, enzymatiques et cellulaires. Cette combinaison a permis dâobtenir et de tester des fractions simplifiĂ©es facilitant ainsi le criblage et l'identification des molĂ©cules responsables de lâactivitĂ© biologique des extraits de plante Ă©tudiĂ©s
Combination of molecular network and centrifugal partition chromatography fractionation for targeting and identifying Artemisia annua L. antioxidant compounds
Phytochemical profiling and evaluation of the anti-aging and anti-inflammatory potential of cultivated Eclipta alba (L.)
Untargeted metabolomic and molecular network approaches to reveal tomato root secondary metabolites
International audienceIntroduction The tomato plant, Solanum lycopersicum L. (Solanaceae), is one of the most widely consumed vegetables in the world and plays an important role in human diet. Tomato cultivars are hosts for diverse types of pests, implying diverse chemical defence strategies. Glycoalkaloids are the main specialised metabolites produced by tomato leaves and fruits to protect against pests. However, the roots have received little attention, leading to limited knowledge about their phytochemical content.Objective The main goal of the current study was the development of an untargeted ultra-high-performance liquid chromatography high-resolution mass spectrometry (UHPLC-HRMS) based metabolomic approach to study phytochemical variations in tomato roots at two different development stages (i.e. 34th and 62nd day after sowing).Methods UHPLC-HRMS was used to establish the fingerprint of 24 batches of tomato roots. Statistical analyses were performed to highlight the compounds that discriminated between young and mature tomato roots. A dereplication strategy using molecular networking and HRMS/MS data was set up to identify the metabolites regulated during early root development.Key findings The main biomarkers were guanidine and adenosine derivatives associated with tryptophan. Secondary metabolites such as glycoalkaloids and steroidal alkaloids were also characterised. Most of the metabolites were up-regulated in young tomato roots (34 days old) while tryptophan was up-regulated in the older roots (62 days old).Conclusion The metabolic changes observed in this work contribute to a deeper understanding of early-stage root development and may help our understanding of the complex processes involved in the tomato root defence arsenal
UPLC-HRMS Analysis Revealed the Differential Accumulation of Antioxidant and Anti-Aging Lignans and Neolignans in In Vitro Cultures of Linum usitatissimum L
International audienceOver the last few decades, methods relating to plant tissue culture have become prevalent within the cosmetic industry. Forecasts predict the cosmetic industry to grow to an annual turnover of around a few hundred billion US dollars. Here we focused onLinum usitatissimumL., a plant that is well-known for its potent cosmetic properties. Following the a) establishment of cell cultures from three distinct initial explant origins (root, hypocotyl, and cotyledon) and b) selection of optimal hormonal concentrations, twoin vitrosystems (callusvscell suspensions) were subjected to different light conditions. Phytochemical analysis by UPLC-HRMS not only confirmed high (neo)lignan accumulation capacity of this species with high concentrations of seven newly described (neo)lignans. Evaluation over 30 days revealed strong variations between the two differentin vitrosystems cultivated under light or dark, in terms of their growth kinetics and phytochemical composition. Additionally, antioxidant (i.e.four differentin vitroassays based on hydrogen-atom transfer or electron transfer mechanism) and anti-aging (i.e.fourin vitroinhibition potential of the skin remodeling enzymes: elastase, hyaluronidase, collagenase and tyrosinase) properties were evaluated for the two differentin vitrosystems cultivated under light or dark. A prominent hydrogen-atom transfer antioxidant mechanism was illustrated by the DPPH and ABTS assays. Potent tyrosinase and elastase inhibitory activities were also observed, which was strongly influenced by thein vitrosystem and light conditions. Statistical treatments of the data showed relationship of some (neo)lignans with these biological activities. These results confirmed the accumulation of flax (neo)lignans in differentin vitrosystems that were subjected to distinct light conditions. Furthermore, we showed the importance of optimizing these parameters for specific applications within the cosmetic industry