Análise estrutural cristalográfica de protótipos de fármacos derivados de N-fenilpiperazina e de N-acilidrazona

• Ano de defesa: 2012
• Autor(a) principal: Castro, Rosane de Paula
• Orientador(a): Sabino, José Ricardo
• Banca de defesa: Sabino, José Ricardo, Aparício, Ricardo, Marques, Ivo de Almeida
• Tipo de documento: Dissertação
• Tipo de acesso: Acesso aberto
• Idioma: por
• Instituição de defesa: Universidade Federal de Goiás
• Programa de Pós-Graduação: Programa de Pós-graduação em Fisica (IF)
• Departamento: Instituto de Física - IF (RG)
• País: Brasil
• Palavras-chave em Português: Difração de raios X; Monocristal; N-fenilpiperazina; N-acilidrazona
• Palavras-chave em Inglês: X-ray diffraction; Single crystal; N-phenylpiperazine; N-acylhydrazones
• Área do conhecimento CNPq: BIOFISICA::BIOFISICA MOLECULAR
• Link de acesso: http://repositorio.bc.ufg.br/tede/handle/tede/5122

In this work will be done initially, a review of the fundamentals of crystallography, besides the description of Direct Methods, commonly used in structural determination of small molecules, and the process of refinement of the obtained structure. The techniques for crystal growth will be presented and also a discussion about the process of data collection in the CAD4 diffractometer. Next, the process of obtaining single crystals and the crystallographic analysis of five novel compounds, which were synthesized by the Laborat´orio de Avaliac¸ ˜ao e S´ıntese de Substˆancias Bioativas (LASSBio) of Universidade Federal do Rio de Janeiro (UFRJ), are presented. These compounds are analogues of drugs, derivatives of N-phenylpiperazine and N-acylhydrazones, fragments that have important biological activities. The crystallographic structures of the following derivatives of N-phenylpiperazine were elucidated : LASSBio-1597, very active as anti-inflammatory, and an inclusion complex of the antipsychotic prototype, LASSBio-579, a dopamine receptor agonist, in β- cyclodextrin. The other compounds elucidated by X-ray crystallography are the N-acylhydrazones derivatives LASSBio-1606 analogue of Piroxicam, and compounds LASSBio-1586 polymorph I and LASSBio-1586 polymorph II , combretastatin-A4 analogue having potent anti-cancer activity, whose crystallographic analysis aimed to verify the existence of polymorphism suggested by DSC analysis (Differential scanning calorimetry).