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Utilize este identificador para citar ou criar um link para este item: http://acervodigital.unesp.br/handle/11449/7432
Título: 
Topliss method in the optimization of salicylic acid derivatives as potential antimycobacterial agents
Autor(es): 
Instituição: 
  • Universidade Estadual Paulista (UNESP)
  • Universidade de São Paulo (USP)
  • Instituto Adolfo Lutz (IAL)
ISSN: 
1747-0277
Resumo: 
The Topliss method was used to guide a synthetic path in support of drug discovery efforts toward the identification of potent antimycobacterial agents. Salicylic acid and its derivatives, p-chloro, p-methoxy, and m-chlorosalicylic acid, exemplify a series of synthetic compounds whose minimum inhibitory concentrations for a strain of Mycobacterium were determined and compared to those of the reference drug, p-aminosalicylic acid. Several physicochemical descriptors (including Hammett's sigma constant, ionization constant, dipole moment, Hansch constant, calculated partition coefficient, Sterimol-L and -B-4 and molecular volume) were considered to elucidate structure-activity relationships. Molecular electrostatic potential and molecular dipole moment maps were also calculated using the AM1 semi-empirical method. Among the new derivatives, m-chlorosalicylic acid showed the lowest minimum inhibitory concentration. The overall results suggest that both physicochemical properties and electronic features may influence the biological activity of this series of antimycobacterial agents and thus should be considered in designing new p-aminosalicylic acid analogs.
Data de publicação: 
1-Fev-2008
Citação: 
Chemical Biology & Drug Design. Oxford: Blackwell Publishing, v. 71, n. 2, p. 167-172, 2008.
Duração: 
167-172
Publicador: 
Blackwell Publishing
Palavras-chaves: 
  • antimycobacterial
  • p-aminosalicylic acid
  • salicylic acid
  • Topliss
  • tuberculostatic
Fonte: 
http://dx.doi.org/10.1111/j.1747-0285.2007.00621.x
Endereço permanente: 
Direitos de acesso: 
Acesso restrito
Tipo: 
outro
Fonte completa:
http://repositorio.unesp.br/handle/11449/7432
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