QSAR based on biological microcalorimetry.
In this paper we describe a QSAR based on biological microcalorimetry for a set of antimicrobial hydrazides acting against Saccharomyces cerivisiae and Escherichia coli. Results show that an extrathermodynamic relationship exists based upon partitioning (log P(TA)) and microcalorimetrically measured biopotencies using the same cell systems. Moreover, the extrathermodynamic relationship between drug potencies for these two cell systems shows that both cellular systems appear to behave in the same way with respect to the importance of partitioning. This means that the same set of congeneric compounds experience a similar environment in the two systems. This represents a lateral validation of the method and discloses the validity of the QSAR model.
Montanari
M L
ML
Núcleo de Estudos em Química Medicinal (NEQUIM), Departamento de Química, Universidade Federal de Minas Gerais, Campus da Pampulha, 31270-901 Belo Horizonte MG, Brazil.
Beezer
A E
AE
Montanari
C A
CA
Piló-Veloso
D
D
D000900:Anti-Bacterial Agents; D000890:Anti-Infective Agents / Q000737:chemistry* / Q000494:pharmacology; D002151:Calorimetry; D004926:Escherichia coli / Q000187:drug effects / Q000378:metabolism; D006834:Hydrazines / Q000737:chemistry* / Q000494:pharmacology; D015203:Reproducibility of Results; D012441:Saccharomyces cerevisiae / Q000187:drug effects / Q000378:metabolism; D013329:Structure-Activity Relationship; D013816:Thermodynamics
D000900:Anti-Bacterial Agents; D000890:Anti-Infective Agents; D006834:Hydrazines