Utilize este identificador para referenciar este registo:
https://hdl.handle.net/10316/8371
Campo DC | Valor | Idioma |
---|---|---|
dc.contributor.author | Neves, Marco A. C. | - |
dc.contributor.author | Dinis, Teresa C. P. | - |
dc.contributor.author | Colombo, Giorgio | - |
dc.contributor.author | Melo, M. Luísa Sá e | - |
dc.date.accessioned | 2009-02-09T14:51:28Z | - |
dc.date.available | 2009-02-09T14:51:28Z | - |
dc.date.issued | 2007 | en_US |
dc.identifier.citation | ChemMedChem. 2:12 (2007) 1750-1762 | en_US |
dc.identifier.uri | https://hdl.handle.net/10316/8371 | - |
dc.description.abstract | Aromatase, an enzyme of the cytochrome P450 family, is a very important pharmacological target, particularly for the treatment of breast cancer. The anti-aromatase activity of a set of natural polyphenolic compounds was evaluated in vitro. Strong aromatase inhibitors including flavones, flavanones, resveratrol, and oleuropein, with activities comparable to that of the reference anti-aromatase drug aminoglutethimide, were identified. Through the application of molecular modeling techniques based on grid-independent descriptors and molecular interaction fields, the major physicochemical features associated with inhibitory activity were disclosed, and a putative virtual active site of aromatase was proposed. Docking of the inhibitors into a 3D homology model structure of the enzyme defined a common binding mode for the small molecules under investigation. The good correlation between computational and biological results provides the first rationalization of the anti-aromatase activity of polyphenolic compounds. Moreover, the information generated in this approach should be further exploited for the design of new aromatase inhibitors. | en_US |
dc.language.iso | eng | eng |
dc.rights | openAccess | eng |
dc.title | Combining Computational and Biochemical Studies for a Rationale on the Anti-Aromatase Activity of Natural Polyphenols | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1002/cmdc.200700149 | en_US |
item.languageiso639-1 | en | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.grantfulltext | open | - |
item.fulltext | Com Texto completo | - |
item.cerifentitytype | Publications | - |
item.openairetype | article | - |
Aparece nas coleções: | FFUC- Artigos em Revistas Internacionais |
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