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Auteur Abderrahmane Bensegueni |
Documents disponibles écrits par cet auteur (3)
Affiner la recherche Interroger des sources externesEtude théorique des métabolites secondaires des végétaux et des composés de synthèse sur le plan de l'activité biologique / Abderrahmane Bensegueni
Titre : Etude théorique des métabolites secondaires des végétaux et des composés de synthèse sur le plan de l'activité biologique : simulation par docking)arrimage) moléculaire sur la lipoxygénase et la cyclooxygénase Type de document : texte imprimé Auteurs : Abderrahmane Bensegueni, Auteur ; Mustapha Bencharif, Directeur de thèse Editeur : Constantine : Université Mentouri Constantine Année de publication : 2007 Importance : 91 f. Note générale : Doctorat d'etat
01 Disponible à la salle de recherche 02 Disponibles au magazin de la B.U.C. 01 CDLangues : Français (fre) Catégories : Français - Anglais
BiologieTags : Biochimie appliquee Flavonoides Energie de liaison Docking moléculaire Modélisation moléculaire Complexe enzyme-inhibiteur Lipoxygénase Cyclooxygénase Intéractions ligand-proteine
Binding energy , Molecular docking Molecular Modeling Inhibitor- Enzyme complexe Lipoxygenase Cyclooxygenase Flavonoids 1,3 diphenyl prop-yne-2-one-1 ligand-protein Interactions طاقة الأرتباط docking مركب أنزیم-مثبط ؛لیبوكسیجیناز سیكلوأوكسیجیناز ثی نمود جیة جزیئیة تأ رات مرتبط-بروتینطط فلافونویدات 1،3دیفینیل بروبین- 2اون-1Index. décimale : 570 Sciences de la vie. Biologie Résumé : The modeling of the biomolecular interactions is a powerful technique in dataprocessing simulations. Many models and software allow the simulation of the protein-ligand interactions. Generally the ligand is of small size. Several software of docking was tested on various molecules of synthesis derived from the 1,3 diphényl propyne-2-one and natural polyphenols of the class of the flavonoïds. The evaluation of their energy of interaction with the 15-lipoxygenase and the cyclooxygenase-2, enzymes strongly implied in various metabolic disorders (inflammatory, atherosclerosis, cancerous) made it possible to release those presenting the best inhibiting effect in agreement with the values of the IC 50 obtained from the literature.
It is the luteolin and compound l in the case of the 15-lipoxygenase and the compound j in the case of the cyclooxygénase-2. The values of their energy of interaction are respectively of -28.70 Kj/mol., -27.50 Kj/mol and of -28.54 Kj/mol. The absence of experimental data on the biological activity of the natural substances with the cyclooxygénase-2 led us to make a simulation of their energy of interaction with this enzyme using three programs: FlexX, Autodock and X-score. It arises that the luteolin, with a lowest binding energy, presents the best inhibiting effect.. We could improve also the binding energy of the DHB, powerful inhibiting of LOX-3, by changing its carboxylic function by the group CH 2 OH (ΔG = - 21.127 Kj/mol). If the hydroxyl group is placed in position 5 of DHB, the binding energy of compound 9 enhances to -16.959 Kj/mol. The biological potentialities of three compounds were checked by their pharmacokinetic properties, the lowest molecular weight and positive values of Log P. However, it is necessary to check these results by an experimental studyNote de contenu :
Article en format papie:
Titre :Novel high affinity inhibitors bases the chemical modifications of 3,4 dihydroxy benzoic acid: docking simulation on lipoxygenase.Diplôme : Doctorat En ligne : ../theses/biologie/BEN4999.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=1748 Etude théorique des métabolites secondaires des végétaux et des composés de synthèse sur le plan de l'activité biologique : simulation par docking)arrimage) moléculaire sur la lipoxygénase et la cyclooxygénase [texte imprimé] / Abderrahmane Bensegueni, Auteur ; Mustapha Bencharif, Directeur de thèse . - Constantine : Université Mentouri Constantine, 2007 . - 91 f.
Doctorat d'etat
01 Disponible à la salle de recherche 02 Disponibles au magazin de la B.U.C. 01 CD
Langues : Français (fre)
Catégories : Français - Anglais
BiologieTags : Biochimie appliquee Flavonoides Energie de liaison Docking moléculaire Modélisation moléculaire Complexe enzyme-inhibiteur Lipoxygénase Cyclooxygénase Intéractions ligand-proteine
Binding energy , Molecular docking Molecular Modeling Inhibitor- Enzyme complexe Lipoxygenase Cyclooxygenase Flavonoids 1,3 diphenyl prop-yne-2-one-1 ligand-protein Interactions طاقة الأرتباط docking مركب أنزیم-مثبط ؛لیبوكسیجیناز سیكلوأوكسیجیناز ثی نمود جیة جزیئیة تأ رات مرتبط-بروتینطط فلافونویدات 1،3دیفینیل بروبین- 2اون-1Index. décimale : 570 Sciences de la vie. Biologie Résumé : The modeling of the biomolecular interactions is a powerful technique in dataprocessing simulations. Many models and software allow the simulation of the protein-ligand interactions. Generally the ligand is of small size. Several software of docking was tested on various molecules of synthesis derived from the 1,3 diphényl propyne-2-one and natural polyphenols of the class of the flavonoïds. The evaluation of their energy of interaction with the 15-lipoxygenase and the cyclooxygenase-2, enzymes strongly implied in various metabolic disorders (inflammatory, atherosclerosis, cancerous) made it possible to release those presenting the best inhibiting effect in agreement with the values of the IC 50 obtained from the literature.
It is the luteolin and compound l in the case of the 15-lipoxygenase and the compound j in the case of the cyclooxygénase-2. The values of their energy of interaction are respectively of -28.70 Kj/mol., -27.50 Kj/mol and of -28.54 Kj/mol. The absence of experimental data on the biological activity of the natural substances with the cyclooxygénase-2 led us to make a simulation of their energy of interaction with this enzyme using three programs: FlexX, Autodock and X-score. It arises that the luteolin, with a lowest binding energy, presents the best inhibiting effect.. We could improve also the binding energy of the DHB, powerful inhibiting of LOX-3, by changing its carboxylic function by the group CH 2 OH (ΔG = - 21.127 Kj/mol). If the hydroxyl group is placed in position 5 of DHB, the binding energy of compound 9 enhances to -16.959 Kj/mol. The biological potentialities of three compounds were checked by their pharmacokinetic properties, the lowest molecular weight and positive values of Log P. However, it is necessary to check these results by an experimental studyNote de contenu :
Article en format papie:
Titre :Novel high affinity inhibitors bases the chemical modifications of 3,4 dihydroxy benzoic acid: docking simulation on lipoxygenase.Diplôme : Doctorat En ligne : ../theses/biologie/BEN4999.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=1748 Exemplaires (1)
Code-barres Cote Support Localisation Section Disponibilité BEN/4999 BEN/4999 Thèse Bibliothèque principale Thèses Disponible
Titre : Evaluation phytochimique et biologique des substances naturelles de deux plantes du Sahara Algérien : Solenostemma argel Hayne et Myrtus nivellei Batt et Trab. Type de document : texte imprimé Auteurs : Rym Gouta Demmak, Auteur ; Abderrahmane Bensegueni, Directeur de thèse ; Sevser Sahpaz, Directeur de thèse Mention d'édition : 09-juil-20 Editeur : جامعة الإخوة منتوري قسنطينة Année de publication : 2020 Importance : 133 f. Format : 30 cm. Note générale : 1 copies imprimées disponibles
Langues : Français (fre) Catégories : Français - Anglais
BiologieTags : Biochimie et Biologie Cellulaire et Moléculaire :Biochimie appliquée Solenostemma argel Myrtus nivellei purification activité biologique fractionnement bioguidé biological activity bioguided fractionation التنقية النشاط البيولوجي التجزيء البيولوجي Index. décimale : 570 Sciences de la vie. Biologie Résumé :
This work focuses on the phytochemical and biological study of two Algerian medicinal plants; an Apocynaceae (Solenostemma argel) and a Myrtaceae (Myrtus nivellei). Preliminary screening revealed an ability of the genus Solenostemma to inhibit cholinesterase enzymes and the ability of Myrtus nivellei to inhibit several pathogenic strains. The bioguided fractionation of the Solenostemma argel species allowed us to identify active spots on AChE from the chloroformic extract, which led us to purify 8 compounds. The molecular structures of the isolated compounds were elucidated mainly by using 1D and 2D NMR techniques (1H, 13C, COSY H-H, HSQC and HMBC), by high resolution mass spectrometry (HRESI-MS) and by comparison with literature data. Of the 8 compounds tested on microplate, compound 1 had the highest percentage of inhibition of AChE and BChE. In the other hand, Myrtus nivellei showed a very good antibacterial activity against the most of the 36 strains. The active spot by bioautography has been targeted and purified by CPC, this compound is currently being identified.
Diplôme : Doctorat en sciences En ligne : ../theses/biologie/DEM7636.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=11470 Evaluation phytochimique et biologique des substances naturelles de deux plantes du Sahara Algérien : Solenostemma argel Hayne et Myrtus nivellei Batt et Trab. [texte imprimé] / Rym Gouta Demmak, Auteur ; Abderrahmane Bensegueni, Directeur de thèse ; Sevser Sahpaz, Directeur de thèse . - 09-juil-20 . - جامعة الإخوة منتوري قسنطينة, 2020 . - 133 f. ; 30 cm.
1 copies imprimées disponibles
Langues : Français (fre)
Catégories : Français - Anglais
BiologieTags : Biochimie et Biologie Cellulaire et Moléculaire :Biochimie appliquée Solenostemma argel Myrtus nivellei purification activité biologique fractionnement bioguidé biological activity bioguided fractionation التنقية النشاط البيولوجي التجزيء البيولوجي Index. décimale : 570 Sciences de la vie. Biologie Résumé :
This work focuses on the phytochemical and biological study of two Algerian medicinal plants; an Apocynaceae (Solenostemma argel) and a Myrtaceae (Myrtus nivellei). Preliminary screening revealed an ability of the genus Solenostemma to inhibit cholinesterase enzymes and the ability of Myrtus nivellei to inhibit several pathogenic strains. The bioguided fractionation of the Solenostemma argel species allowed us to identify active spots on AChE from the chloroformic extract, which led us to purify 8 compounds. The molecular structures of the isolated compounds were elucidated mainly by using 1D and 2D NMR techniques (1H, 13C, COSY H-H, HSQC and HMBC), by high resolution mass spectrometry (HRESI-MS) and by comparison with literature data. Of the 8 compounds tested on microplate, compound 1 had the highest percentage of inhibition of AChE and BChE. In the other hand, Myrtus nivellei showed a very good antibacterial activity against the most of the 36 strains. The active spot by bioautography has been targeted and purified by CPC, this compound is currently being identified.
Diplôme : Doctorat en sciences En ligne : ../theses/biologie/DEM7636.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=11470 Exemplaires (1)
Code-barres Cote Support Localisation Section Disponibilité DEM/7636 DEM/7636 Thèse Bibliothèque principale Thèses Disponible
Titre : Identification par criblage virtuel et analyses biologiques de nouveaux inhibiteurs de l’acétylcholinestérase pour le traitement de la maladie d’Alzheimer. Type de document : texte imprimé Auteurs : El-Hassen Mokrani, Auteur ; Abderrahmane Bensegueni, Directeur de thèse Mention d'édition : 18/10/2020 Editeur : جامعة الإخوة منتوري قسنطينة Année de publication : 2020 Importance : 169 f. Format : 30 cm. Note générale : 1 copies imprimées disponibles
Langues : Français (fre) Catégories : Français - Anglais
BiologieTags : Biochimie et Biologie Cellulaire et Moléculaire: Biochimie Appliquée Acétylcholinestérase Criblage virtuel Inhibiteur Maladie d’Alzheimer vSDC Alzheimer’s disease inhibitory activity Virtual screening أستيل كولينستراز مرض الزهايمر نشاط مثبط فحص افتراضي Index. décimale : 570 Sciences de la vie. Biologie Résumé :
Acetylcholinesterase (AChE) is currently the most favorable target for the symptomatic treatment and reduction of Alzheimer’s disease (AD). In this work, a new structure-based virtual screening strategy was used in order to identify, among 14307 compounds of Institut Curie-CNRS chemical library, new potent AChE inhibitors. The strategy undertaken in this work consisted of the use of several docking programs in SBVS calculations followed by the application of a consensus method (vSDC) and a scrupulous visual analysis. It allowed us to obtain a high degree of success, with a yield of almost 86%, since 12 hits were identified among only 14 molecules tested in vitro. Still more remarkably, 6 of these hits were more active than galantamine, the reference inhibitor. These hits were predicted to have good ADMET properties. Finally, the in vivo study of cytotoxicity undertaken on Artemia salina larvae showed, in particular, through the evaluation of the LC50 / IC50 ratio that the six hits have a greater inhibitory activity than their toxic effect, which can thus be used as starting structures for the optimization and design of new AD drug candidates.
Note de contenu :
Annexes.Diplôme : Doctorat en sciences En ligne : ../theses/biologie/MOK7666.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=11500 Identification par criblage virtuel et analyses biologiques de nouveaux inhibiteurs de l’acétylcholinestérase pour le traitement de la maladie d’Alzheimer. [texte imprimé] / El-Hassen Mokrani, Auteur ; Abderrahmane Bensegueni, Directeur de thèse . - 18/10/2020 . - جامعة الإخوة منتوري قسنطينة, 2020 . - 169 f. ; 30 cm.
1 copies imprimées disponibles
Langues : Français (fre)
Catégories : Français - Anglais
BiologieTags : Biochimie et Biologie Cellulaire et Moléculaire: Biochimie Appliquée Acétylcholinestérase Criblage virtuel Inhibiteur Maladie d’Alzheimer vSDC Alzheimer’s disease inhibitory activity Virtual screening أستيل كولينستراز مرض الزهايمر نشاط مثبط فحص افتراضي Index. décimale : 570 Sciences de la vie. Biologie Résumé :
Acetylcholinesterase (AChE) is currently the most favorable target for the symptomatic treatment and reduction of Alzheimer’s disease (AD). In this work, a new structure-based virtual screening strategy was used in order to identify, among 14307 compounds of Institut Curie-CNRS chemical library, new potent AChE inhibitors. The strategy undertaken in this work consisted of the use of several docking programs in SBVS calculations followed by the application of a consensus method (vSDC) and a scrupulous visual analysis. It allowed us to obtain a high degree of success, with a yield of almost 86%, since 12 hits were identified among only 14 molecules tested in vitro. Still more remarkably, 6 of these hits were more active than galantamine, the reference inhibitor. These hits were predicted to have good ADMET properties. Finally, the in vivo study of cytotoxicity undertaken on Artemia salina larvae showed, in particular, through the evaluation of the LC50 / IC50 ratio that the six hits have a greater inhibitory activity than their toxic effect, which can thus be used as starting structures for the optimization and design of new AD drug candidates.
Note de contenu :
Annexes.Diplôme : Doctorat en sciences En ligne : ../theses/biologie/MOK7666.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=11500 Exemplaires (1)
Code-barres Cote Support Localisation Section Disponibilité MOK/7666 MOK/7666 Thèse Bibliothèque principale Thèses Disponible
