Estudos de QSAR baseados em dados de atividade biológica obtidos por microcalorimetria: III interação de m-alcoxifenóis e p-hidroxibenzoatos de alquila com Escherichia coli QSAR based on biological microcalorimetry: III interaction of m-alcoxy-phenols and p-hydroxybenzoates with Escherichia coli

• Main Authors: P. L. O. Volpe, C. A. Montanari
• Format: Article
• Language: English
• Published: Sociedade Brasileira de Química 1997-04-01
• Series: Química Nova
• Subjects: biological microcalorimetry; QSAR; biological response; homologous series
• Online Access: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421997000200002
• ISSN: 0100-4042; 1678-7064

<abstract language="eng">QSAR studies based on flow microcalorimetric bioassay data for interaction of homologous series of m-alkoxyphenols and p-hydroxybenzoates with E. coli cells were carried out applying factorial design. Results for both series showed a linear relationship between log(dose)max and log Po/w. Analysis of these data allows the identification of contributions toward the derived bioactivity from the parent structures (the molecule minus n-CH2 groups present in the side-chain) and the lipophilic groups, CH2. These results are discussed with respect to drug quantitative structure-relationship.