Santos, Isabelle Hesehd de Lima e2023-07-242023-07-242023-07-06SANTOS, Isabelle Hesehd de Lima e. Síntese de Nitro-sufonil-aminoácidos potenciais protótipos para o tratamento da Osteoartrite. Orientador: Euzébio Guimarães Barbosa. 2023. 54 f. Trabalho de Conclusão de Curso (Graduação em Farmácia) - Departamento de Farmácia, Universidade Federal do Rio Grande do Norte, Natal, 2023.https://repositorio.ufrn.br/handle/123456789/54050Complex diseases are formed not only by a single genetic factor, but involve multiple determinants, as in the case of Osteoarthritis, which can involve genetic, congenital, environmental influences, lifestyle, age, and hormones, influencing its detection and progression. Osteoarthritis is caused by the degradation of the articular cartilages present in their extracellular matrix (ECM), and the renewal of this matrix is codependent on metalloproteinase enzymes and tissue factors of MMP, particularly metalloproteinase-13. Disruption of this homeostasis between factors stimulates ECM degradation and disease progression, affecting approximately 3.8% of the Brazilian population. Although extensively explored in organic synthesis, sulfas and amino acids continue to be molecules explored in synthesis due to their indispensable advantages, such as a vast database that can predict their activities, affinities, physicochemical characteristics, as well as their low cost when synthesized in a basic catalytic medium without transition metals. Additionally, the sulfur atom present in sulfas has a multifunctional structure, facilitating the accommodation of more electrons in its valence shell. It is plausible to target sulfas to different targets and metabolic pathways since their effectiveness has been proven in various areas. Derivatives with antibacterial, diuretic, carbonic anhydrase inhibitor, hypoglycemic, anti-thyroid, and anticancer activities have already been commercialized. Inverse computational screening makes it possible to analyze and predict molecular interactions that could, in theory, allow for the targeting of a biological target of interest. Computational approaches enable a more efficient screening of candidate compounds, reducing the need for unnecessary testing. Therefore, the objective is to synthesize and screen the in silico activity of nitro-sulfonil-amino acids to achieve the discovery of potentially active compounds against relevant targets for the treatment of osteoarthritis.Attribution-NonCommercial-NoDerivs 3.0 Brazilhttp://creativecommons.org/licenses/by-nc-nd/3.0/br/SulfonamidasMMP-13Nitro-sulfonil-aminoacidosTriagem Virtual InvertidaOsteoartritebachelorThesisCNPQ::CIENCIAS DA SAUDE