**Summary:** This thesis focuses on the identification of multifunctional inhibitors targeting molecular targets used in the treatment of obesity and diabetes. The research explores the potential of natural products as a source of compounds that can inhibit key digestive enzymes secreted by the pancreas: α-glucosidase (AG), α-amylase (AA), and pancreatic lipase (LP). These enzymes are central to the metabolism of carbohydrates and lipids, and their inhibition can help manage obesity and type 2 diabetes by reducing the absorption of complex carbohydrates and fats. The study employs computational methods, including molecular docking, to screen a database of natural products for compounds that show high interaction with the catalytic sites of these enzymes. The goal is to identify molecules with multifunctional activity that can target multiple enzymes simultaneously, thereby offering a more effective therapeutic approach. The research highlights the importance of natural products in drug discovery due to their chemical diversity and biological activities. The study also emphasizes the role of computational screening in accelerating the identification of potential drug candidates, reducing the need for extensive experimental testing. Key findings include the identification of several natural compounds that exhibit promising inhibitory activity against AG, AA, and LP. These compounds were selected based on consensus and consolidation methods, and their potential was further validated through preliminary experimental tests. The study also proposes a qualitative pharmacophore model to explain the structure-activity relationship of these compounds. The research contributes to the understanding of multifunctional inhibitors in the context of obesity and diabetes, offering a new approach to the treatment of these complex diseases. The findings suggest that natural products could be a valuable resource for developing novel therapeutics targeting multiple pathways involved in metabolic disorders.**Summary:** This thesis focuses on the identification of multifunctional inhibitors targeting molecular targets used in the treatment of obesity and diabetes. The research explores the potential of natural products as a source of compounds that can inhibit key digestive enzymes secreted by the pancreas: α-glucosidase (AG), α-amylase (AA), and pancreatic lipase (LP). These enzymes are central to the metabolism of carbohydrates and lipids, and their inhibition can help manage obesity and type 2 diabetes by reducing the absorption of complex carbohydrates and fats. The study employs computational methods, including molecular docking, to screen a database of natural products for compounds that show high interaction with the catalytic sites of these enzymes. The goal is to identify molecules with multifunctional activity that can target multiple enzymes simultaneously, thereby offering a more effective therapeutic approach. The research highlights the importance of natural products in drug discovery due to their chemical diversity and biological activities. The study also emphasizes the role of computational screening in accelerating the identification of potential drug candidates, reducing the need for extensive experimental testing. Key findings include the identification of several natural compounds that exhibit promising inhibitory activity against AG, AA, and LP. These compounds were selected based on consensus and consolidation methods, and their potential was further validated through preliminary experimental tests. The study also proposes a qualitative pharmacophore model to explain the structure-activity relationship of these compounds. The research contributes to the understanding of multifunctional inhibitors in the context of obesity and diabetes, offering a new approach to the treatment of these complex diseases. The findings suggest that natural products could be a valuable resource for developing novel therapeutics targeting multiple pathways involved in metabolic disorders.