Titre :	Conception in silico de nouveaux inhibiteurs de la topoisomérase I de cellules cancéreuses.
Type de document :	texte imprimé
Auteurs :	Soumia Teniou, Auteur ; Abdellatif Bensegueni, Directeur de thèse
Editeur :	Constantine : Université Mentouri Constantine
Année de publication :	2012
Importance :	95 f.
Format :	31 cm.
Note générale :	2 copies imprimées disponibles
Langues :	Français (fre)
Catégories :	Français - Anglais Biologie
Tags :	Biochimie:Technologie des Explorations Biochimiques  L'ADN Topoisomérase I  Flavonoides  Modélisation moléculaire  Docking moléculaire  Surflex  Affinité  Myricétine  DNA topoisomérase I  Flavonoids  Molecular modeling  Molecular Docking  Affinity  Myricetin  الفلافونويدات  النمذجة الجزيئية  الجاذبية
Index. décimale :	570 Sciences de la vie. Biologie
Résumé :	Human DNA Topoisomérase I (topo I) is the target of several drugs commonly used in cancer chemotherapy. These drugs induce topo-DNA complexes that eventually trigger cell death. Several flavonoides have been shown as inhibitors of topo I, having an anticancer activity. Using the methods of molecular modeling in particularl the docking by the Surflex program, we theoretically evaluated the affinity of four flavonoids: myricetin, fisetin, quercetin and apigenin, presented in recent studies as inhibitors of topo I. Myricetin with the lowest IC50 (11.1 ± 2.0 µM) gave the best affinity (7.01 M-1). For the development in silico of novel molecules most powerful myricetin, we have made several substitutions. Replacing the hydroxyl group carried by the carbone C3´ of the myricetin by an alcoholic group CH2OH significantly improves the affinity increases from 7.01 M-1 to 8.79 M-1. The application of the rule of Lipinski informs in a positive way about the ADME properties of this new molecule that is as an inhibitor potentially more active than myricetin.
Note de contenu :	Annexes.
Diplôme :	Magistère
En ligne :	../theses/biologie/TEN6172.pdf
Format de la ressource électronique :	pdf
Permalink :	index.php?lvl=notice_display&id=6108

Conception in silico de nouveaux inhibiteurs de la topoisomérase I de cellules cancéreuses. [texte imprimé] / Soumia Teniou, Auteur ; Abdellatif Bensegueni, Directeur de thèse . - Constantine : Université Mentouri Constantine, 2012 . - 95 f. ; 31 cm.
2 copies imprimées disponibles
Langues : Français (fre)

Catégories :	Français - Anglais Biologie
Tags :	Biochimie:Technologie des Explorations Biochimiques  L'ADN Topoisomérase I  Flavonoides  Modélisation moléculaire  Docking moléculaire  Surflex  Affinité  Myricétine  DNA topoisomérase I  Flavonoids  Molecular modeling  Molecular Docking  Affinity  Myricetin  الفلافونويدات  النمذجة الجزيئية  الجاذبية
Index. décimale :	570 Sciences de la vie. Biologie
Résumé :	Human DNA Topoisomérase I (topo I) is the target of several drugs commonly used in cancer chemotherapy. These drugs induce topo-DNA complexes that eventually trigger cell death. Several flavonoides have been shown as inhibitors of topo I, having an anticancer activity. Using the methods of molecular modeling in particularl the docking by the Surflex program, we theoretically evaluated the affinity of four flavonoids: myricetin, fisetin, quercetin and apigenin, presented in recent studies as inhibitors of topo I. Myricetin with the lowest IC50 (11.1 ± 2.0 µM) gave the best affinity (7.01 M-1). For the development in silico of novel molecules most powerful myricetin, we have made several substitutions. Replacing the hydroxyl group carried by the carbone C3´ of the myricetin by an alcoholic group CH2OH significantly improves the affinity increases from 7.01 M-1 to 8.79 M-1. The application of the rule of Lipinski informs in a positive way about the ADME properties of this new molecule that is as an inhibitor potentially more active than myricetin.
Note de contenu :	Annexes.
Diplôme :	Magistère
En ligne :	../theses/biologie/TEN6172.pdf
Format de la ressource électronique :	pdf
Permalink :	index.php?lvl=notice_display&id=6108