In silico prediction of the skin biological activity for botanical active ingredients based on their composition in phytocomponents
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Presented by: Jean-Marie BOTTO
Network pharmacology links phytocomponents to target genes and proteins and helps predict biological activity. Thereby, this type of study relies on the analytical determination of the major components of a botanical extract. Major plant secondary metabolites are more likely to belong to terpenoids, phenylpropanoids and polyketides class of compounds. The determination of validated relationships (scientific literature, databases, and experimental data) associated with the prediction of undescribed but potential connections (e.g., via structural biology approaches) leads to a list of targets that will serve as a base for gene enrichment studies, to point out specific associated biological processes and pathways of interest. The output can be represented as a tripartite “active phytocompound / target proteins & genes / biological activity & signaling pathway” set of data that can be used as a predictive ground to further perform experimental validation on dedicated skin models. We present in this study the application of network pharmacology to a particular botanical extract.