This thesis, titled "Identification of Multifunctional Inhibitors against Molecular Targets Used in the Treatment of Obesity and Diabetes," is authored by Luis Alberto Osorio Murillo and supervised by Fabián Harvey López Vallejo and Juliet Angélica Prieto Rodríguez from the Universidad Nacional de Colombia. The research focuses on the identification of natural products as potential inhibitors of digestive enzymes (α-glucosidase, α-amylase, and pancreatic lipase) to address the multifaceted nature of obesity and type 2 diabetes. The study employs virtual screening techniques, specifically molecular docking, to identify compounds with high affinity for the catalytic sites of these enzymes. The compounds were selected using a consensus and consolidation method, and their potential as multifunctional inhibitors was further evaluated through in vitro experiments. The results identified several promising molecules from different categories of metabolites, which showed better behavior compared to reference molecules in inhibiting the studied enzymes. These molecules are proposed to have a high probability of multifunctional action. The thesis contributes to the ongoing efforts to develop treatments for obesity and type 2 diabetes by identifying natural products with potential multifunctional activity, which could help mitigate the comorbidities associated with these diseases.This thesis, titled "Identification of Multifunctional Inhibitors against Molecular Targets Used in the Treatment of Obesity and Diabetes," is authored by Luis Alberto Osorio Murillo and supervised by Fabián Harvey López Vallejo and Juliet Angélica Prieto Rodríguez from the Universidad Nacional de Colombia. The research focuses on the identification of natural products as potential inhibitors of digestive enzymes (α-glucosidase, α-amylase, and pancreatic lipase) to address the multifaceted nature of obesity and type 2 diabetes. The study employs virtual screening techniques, specifically molecular docking, to identify compounds with high affinity for the catalytic sites of these enzymes. The compounds were selected using a consensus and consolidation method, and their potential as multifunctional inhibitors was further evaluated through in vitro experiments. The results identified several promising molecules from different categories of metabolites, which showed better behavior compared to reference molecules in inhibiting the studied enzymes. These molecules are proposed to have a high probability of multifunctional action. The thesis contributes to the ongoing efforts to develop treatments for obesity and type 2 diabetes by identifying natural products with potential multifunctional activity, which could help mitigate the comorbidities associated with these diseases.