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Revista Cubana de Investigaciones Biomédicas

versão impressa ISSN 0864-0300versão On-line ISSN 1561-3011

Resumo

CORTINA MARRERO, Hugo Jorge et al. Qualitative study of the structure-activity relationship of aromatic aldehydes, potential antisickling agents. Rev Cubana Invest Bioméd [online]. 2004, vol.23, n.1, pp.11-18. ISSN 0864-0300.

A qualitative structure-activity relationship study was conducted with 27 aromatic aldehydes of interest as potential antisickling agents. The activity data: intracellular HbA modification (A1) and effects on the oxygen affinity (A2), were taken from published studies. Mechanoquantum descriptors determined by semiempyric calculations (MNDO/P3 and CNDO) were used. The results obtained suggest new considerations on the role played by diverse molecular parameters in the activity of these compounds. The low polarity of the carbonyl group favors the A1 activity, as well as the presence of substituting electroaceptors that reduce this polarity. The role of the substitutes and of the ring is not only that of modulators of the carbonyl polarity. The evidence found may be useful in synthesis works oriented to obtain compounds with better antisickling activity profiles

Palavras-chave : ANEMIA, SICKLE CELL [drug therapy]; STRUCTURE-ACTIVITY RELATIONSHIP.

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