Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/5211
DC FieldValueLanguage
dc.contributor.authorM., Renzullien_us
dc.contributor.authorL., Rocheblaveen_us
dc.contributor.authorS. I., Avramovaen_us
dc.contributor.authorE., Gallettien_us
dc.contributor.authorD., Castagnoloen_us
dc.contributor.authorL., Maccarien_us
dc.contributor.authorS., Forlien_us
dc.contributor.authorManetti, Fabrizioen_us
dc.contributor.authorCorelli, Federicoen_us
dc.contributor.authorBotta, Maurizioen_us
dc.date.accessioned2021-03-30T15:49:57Z-
dc.date.available2021-03-30T15:49:57Z-
dc.date.issued2006-
dc.identifier.issn1551-7004en_US
dc.identifier.urihttp://hdl.handle.net/20.500.12779/5211-
dc.description38599en_US
dc.description.abstractThe remarkable therapeutic importance of taxane diterpenoids as anticancer drugs and their challenging structural complexity have stimulated worldwide enormous efforts. Our group developed a theoretic quantitative model describing the relationship between structure and biological activity of microtubules-stabilizing anticancer agents (MSAAs) aimed at gaining an insight into the specific structural features required for the ligand-receptor binding. The model was demonstrated to be able to estimate/predict the microtubule-stabilising activity for a series of taxanes and provided further details about the influence of each pharmacophore point on the ligand binding affinity. Molecular modeling studies from our group revealed that modified Taxuspines U and X could adopt a conformation similar to the bioactive conformation of paclitaxel and can be well accommodated within the pseudoreceptor model. Following the suggestions coming from the model we rationally designed and synthesized new simplified taxuspine U analogues. In particular, we developed a new methodology for the synthesis of such compounds involving a macrocyclisation reaction via RCM in presence of different functional groups.en_US
dc.language.isoenen_US
dc.relationNoneen_US
dc.relation.ispartofARKIVOCen_US
dc.titleA pharmacophore modeling approach to design new taxol® mimics: towards the synthesis of potential anticancer and MDR-reversing agenten_US
dc.typeArticleen_US
dc.identifier.isiWOS:000242574600012en_US
dc.relation.volume8en_US
dc.description.firstpage111en_US
dc.description.lastpage130en_US
dc.description.thirdmissionNot applicableen_US
item.cerifentitytypePublications-
item.grantfulltextnone-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeArticle-
item.fulltextNo Fulltext-
crisitem.author.orcid0000-0002-9598-2339-
crisitem.author.orcid0000-0002-5750-4504-
crisitem.author.orcid0000-0003-0456-6995-
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