Resumo (PT):
multidisciplinary project was developed, combining the synthesis of a series of β-nitrostyrene derivatives and the determination of their physicochemical parameters (redox potentials, partition coefficients), to the evaluation of the corresponding antibacterial activity. A complete conformational analysis was also performed, in order to get relevant structural information. Subsequently, a structure–property–activity (SPAR) approach was applied, through linear regression analysis, aiming at obtaining a putative correlation between the physicochemical parameters of the compounds investigated and their antibacterial activity (both against standard strains and clinical isolates). The β-nitrostyrene compounds displayed a lower activity towards all the tested bacteria relative to the β-methyl-β-nitrostyrene analogues. This was observed particularly for the 3-hydroxy-4-methoxy-β-methyl-β-nitrostyrene (IVb) against the Gram-positive bacteria (Staphylococcus aureus, Enterococcus faecalis and Enterococcus faecium). The SPAR results revealed the existence of a clear correlation between the redox potentials and the antibacterial activity of the series of β-nitrostyrene derivatives under study.
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Keywords: β-Nitrostyrene derivatives; Antibacterial activity; Redox potentials; Structure–property–activity relationship
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<a target="_blank" href="http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TF8-4JB9MS4-1&_user=2460038&_coverDate=06%2F15%2F2006&_rdoc=11&_fmt=high&_orig=browse&_origin=browse&_zone=rslt_list_item&_srch=doc-info(%23toc%235220%232006%23999859987%23622124%23FLA%23display%23Volume)&_cdi=5220&_sort=d&_docanchor=&_ct=32&_acct=C000057398&_version=1&_urlVersion=0&_userid=2460038&md5=143d987c148985767510dbaf4f872cce&searchtype=a"> Texto integral</a>
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Abstract (EN):
multidisciplinary project was developed, combining the synthesis of a series of β-nitrostyrene derivatives and the determination of their physicochemical parameters (redox potentials, partition coefficients), to the evaluation of the corresponding antibacterial activity. A complete conformational analysis was also performed, in order to get relevant structural information. Subsequently, a structure–property–activity (SPAR) approach was applied, through linear regression analysis, aiming at obtaining a putative correlation between the physicochemical parameters of the compounds investigated and their antibacterial activity (both against standard strains and clinical isolates). The β-nitrostyrene compounds displayed a lower activity towards all the tested bacteria relative to the β-methyl-β-nitrostyrene analogues. This was observed particularly for the 3-hydroxy-4-methoxy-β-methyl-β-nitrostyrene (IVb) against the Gram-positive bacteria (Staphylococcus aureus, Enterococcus faecalis and Enterococcus faecium). The SPAR results revealed the existence of a clear correlation between the redox potentials and the antibacterial activity of the series of β-nitrostyrene derivatives under study.
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Keywords: β-Nitrostyrene derivatives; Antibacterial activity; Redox potentials; Structure–property–activity relationship
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<a target="_blank" href="http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TF8-4JB9MS4-1&_user=2460038&_coverDate=06%2F15%2F2006&_rdoc=11&_fmt=high&_orig=browse&_origin=browse&_zone=rslt_list_item&_srch=doc-info(%23toc%235220%232006%23999859987%23622124%23FLA%23display%23Volume)&_cdi=5220&_sort=d&_docanchor=&_ct=32&_acct=C000057398&_version=1&_urlVersion=0&_userid=2460038&md5=143d987c148985767510dbaf4f872cce&searchtype=a"> Full text </a>
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Idioma:
Inglês
Tipo (Avaliação Docente):
Científica