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dc.contributor.author Βαρβαρέσου, Αθανασία el
dc.contributor.author Ιακώβου, Κρίτων el
dc.date.accessioned 2015-04-28T14:27:07Z
dc.date.available 2015-04-28T14:27:07Z
dc.date.issued 2015-04-28
dc.identifier.uri http://hdl.handle.net/11400/9161
dc.rights Αναφορά Δημιουργού-Μη Εμπορική Χρήση-Όχι Παράγωγα Έργα 3.0 Ηνωμένες Πολιτείες *
dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/3.0/us/ *
dc.source http://link.springer.com el
dc.subject Καλλυντικά
dc.subject Χημικά σκευάσματα
dc.subject Δερματικές αντιδράσεις
dc.subject Cosmetics
dc.subject Chemical preparations
dc.subject Skin reactions
dc.title Molecular modeling study of intercalation complexes of tricyclic carboxamides with d(CCGGCGCCGG)2 and d(CGCGAATTCGCG)2 en
heal.type journalArticle
heal.classification Aesthetics
heal.classification Chemistry
heal.classification Αισθητική
heal.classification Χημεία
heal.classificationURI http://id.loc.gov/authorities/subjects/sh85001441
heal.classificationURI http://id.loc.gov/authorities/subjects/sh85022986
heal.classificationURI **N/A**-Αισθητική
heal.classificationURI **N/A**-Χημεία
heal.identifier.secondary 10.1007/s00894-010-0891-5
heal.language en
heal.access campus
heal.recordProvider Τεχνολογικό Εκπαιδευτικό Ίδρυμα Αθηνών. Σχολή Επαγγελμάτων Υγείας και Πρόνοιας. Τμήμα Αισθητικής και Κοσμητολογίας el
heal.publicationDate 2011-08
heal.bibliographicCitation Varvaresou, A. and Iakovou, K. (2010) Molecular modeling study of intercalation complexes of tricyclic carboxamides with d(CCGGCGCCGG)2 and d(CGCGAATTCGCG)2. "Journal of Molecular Modeling", 17 (8), p.2041-2050 en
heal.abstract Tricyclic dyes with different mesoatoms such as xanthenes (fluorescein, eosin) anthracenes and acridines (proflavine) approved by the Food and Drug Administration (FDA) for use in foods, pharmaceuticals and cosmetic preparations interact with DNA, and some of them do so through intercalation. Hyperchem 7.5, Spartan 04, Yasara 10.5.14 program packages and molecular modeling, molecular mechanics and dynamics techniques with the oligonucleotides d(CCGGCGCCGG)2 and d(CGCGAATTCGCG)2 were utilized in order to examine the mode of binding to DNA of a range of tricyclic carboxamides bearing N,N-dimethylaminoethyl side chain, i.e., 9-amino-DACA, anthracene, acridine-1-carboxamide, acridine-4-carboxamide (DACA), azacridine, phenazine, pyridoquinoxaline, oxopyridoquinoxaline, phenoxazine and xanthenone or N,N-dimethylaminobutyl moiety, i.e., phenazine and acridine. The bicyclic quinoline-8-carboxamide was also examined for comparison reasons. On the basis of our data, prerequisite for the interaction between protonated N,N-dimethylaminoethyl moiety and guanine is the formation of only one internal hydrogen bond between carboxamide and peri NH + in the case of 9-amino-DACA or peri N in the cases of DACA, azacridine, phenazine and pyridoquinoxaline. The presence of an additional internal hydrogen bond between oxygen carboxamide and protonated N,N-dimethylamino group in the cases of tricyclic systems bearing peri NH (phenoxazine) or O (xanthenone) group, prevents the interaction between side chain and guanine. Also, the formation of one internal hydrogen bond between oxygen carboxamide and protonated N,N-dimethylamino group inhibits the interaction between side chain and guanine in the case of acridine-1-carboxamide. Our findings are in accordance with previously reported results obtained from the kinetic studies of the binding of acridine and related tricyclic carboxamides to DNA. en
heal.publisher Springer el
heal.journalName Journal of Molecular Modeling en
heal.journalType peer-reviewed
heal.fullTextAvailability false
heal.dateCreated 2010-12-14


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Αναφορά Δημιουργού-Μη Εμπορική Χρήση-Όχι Παράγωγα Έργα 3.0 Ηνωμένες Πολιτείες Except where otherwise noted, this item's license is described as Αναφορά Δημιουργού-Μη Εμπορική Χρήση-Όχι Παράγωγα Έργα 3.0 Ηνωμένες Πολιτείες