Análise estrutural cristalográfica de protótipos de fármacos derivados de N-fenilpiperazina e de N-acilidrazona
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2012-03-26
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Universidade Federal de Goiás
Resumo
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).
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CASTRO, Rosane de Paula. Análise estrutural cristalográfica de protótipos de fármacos derivados de N-fenilpiperazina e de N-acilidrazona. 2012. 78 f. Dissertação (Mestrado em Física) - Universidade Federal de Goiás, Goiânia, 2012.