Résumé : This doctoral thesis was conducted in the framework of a co-supervised PhD between the Department of Agriculture, Forestry and Food Sciences of the University of Turin and the Unit of Pharmacognosy, Bioanalysis and Drug Discovery of the Faculty of Pharmacy at the Université libre de Bruxelles. The present manuscript was conceived as a thesis of articles and is composed of 9 different scientific publications. The general introduction of the work was issued from a published narrative review, while the result and discussion part is composed by eight chapters based on different scientific articles issued from the PhD project. The cocoa bean shell (CBS) is the external tegument that covers the cocoa bean, and is one of the major by-products in cocoa industry. It is normally discarded or underutilized, which could result in economical and environmental issues. However, CBS represents a notable source of polyphenols and methylxanthines (theobromine and caffeine) which can give it different biofunctionalities such as antioxidant and antidiabetic properties, among others. It also contains high amounts of dietary fiber (about 50% w/w), minerals, vitamins, and proteins. CBS has low-fat content, and interesting cocoa-aroma compounds. All this could make CBS useful as a food ingredient, and source of biofunctional compounds. The first part of the experimental work of this thesis is devoted to the chemical characterization of CBS and the establishment of its polyphenolic and volatile organic compound (aroma) profiles. The utilization of such profiles, determined by both complete characterization methods and screening methods, was also proposed for authentication purposes of CBS depending on its geographical origin and variety. In a second step, the utilization of CBS as a low-cost food ingredient for functional food production was envisaged. CBS-based beverages and biscuits were proposed as model foods. The influence of the CBS addition to the model foods was evaluated from both technological and nutritional points of view. Changes on the physicochemical characteristics of the model foods were assessed as well as their content in compounds of interest and potential biofunctionalities. Moreover, these studies served also to evaluate the effect of the different food matrices on the bioaccessibility and intestinal permeability of the bioactive compounds contained in CBS. In the third and last part of this work, a different utility was given to the study of the cocoa by-product. The antimicrobial potential of CBS was assessed against different bacterial and fungal strains and a metabolomic strategy was applied in order to individualize the putative active compounds against the Streptococcus mutans proliferation. This work was a contribution for the valorization of a high add-value product such as the CBS, and a step towards a zero-waste cocoa industry within the frame of sustainable circular economy.