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Partager le résultat de cette 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 : 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
BiologieTags : 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 : 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
BiologieTags : 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 : Permalink : index.php?lvl=notice_display&id=6108 Exemplaires (1)
Code-barres Cote Support Localisation Section Disponibilité TEN/6172 TEN/6172 Thèse Bibliothèque principale Thèses Disponible
Titre : Étude de l'activité et des propriétés thérapeutiques d’une série de composés organiques azotés : approches expérimentale et théorique. Type de document : texte imprimé Auteurs : Rafik Bensegueni, Auteur ; Mustapha Bencharif, Directeur de thèse Editeur : جامعة الإخوة منتوري قسنطينة Année de publication : 2019 Importance : 93 f. Format : 30 cm. Note générale : 1 copies imprimées disponibles
Langues : Français (fre) Catégories : Français - Anglais
ChimieTags : chimie:Chimie théorique Activité antioxydante activité anti-tyrosinase DFT Docking moléculaire oximes azométhines phénylhydrazones semicarbazones antioxidant activity anti-tyrosinase activity molecular docking azomethines phenylhydrazones النشاط المضاد للأكسدة النشاط المضاد للتيروزيناز نظرية DFT الالتحام الجزئي الاكسيمات الازوميتينات الفينيلهيدرازوانات السيمكاربانونات Index. décimale : 540 Chimie et sciences connexes Résumé : The search for compounds of therapeutic interest more and more effective with the minimum of possible adverse effects remains a challenge for scientists and pharmaceutical players. In this thesis, we first synthesized a series of nitrogenous organic compounds classified into four families which are oximes, azomethines, phenylhydrazones and semicarbazones. We subjected them to antioxidant activity tests (DPPH, CUPRAC and iron reducing power). Moreover, molecular modeling calculations with density functional theory (DFT) have been carried out on our molecules in order to determine certain molecular descriptors (BDE, IP, PDE, PA and ETE) which allow us to analyze and to explain the experimental results. All calculations were performed using the Gaussian 09 software. Finally, we tested their anti-enzymatic activity and performed in parallel, it’s in silico simulation through a molecular docking calculation. The antioxidant activity tests were very satisfactory and showed a well-established antioxidant power for the tested compounds, especially for the DPPH scavenging test and the CUPRAC test. Indeed, for these two tests some molecules had a much better activity than the standard antioxidants used: butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT). On the other hand, the values of the molecular descriptors obtained are in good agreement with the experimental results. The analysis of these descriptors allowed us to propose mechanisms for the radical activity of our molecules. On the other hand, the tests of the anti-enzymatic activity revealed a moderate activity for the tested compounds and the enzyme-ligand interactions thus engaged, are listed after the analysis of the results of the molecular docking carried out. The results obtained showed a good correlation between the theoretical and experimental studies, confirming the antioxidant power of our compounds, which could allow them to be used in the pharmaceutical and food industries, while noting their obedience to Lipinski's rules. Finally, further tests are recommended to ratify these results.
Diplôme : Doctorat en sciences En ligne : ../theses/chimie/BEN7590.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=11258 Étude de l'activité et des propriétés thérapeutiques d’une série de composés organiques azotés : approches expérimentale et théorique. [texte imprimé] / Rafik Bensegueni, Auteur ; Mustapha Bencharif, Directeur de thèse . - جامعة الإخوة منتوري قسنطينة, 2019 . - 93 f. ; 30 cm.
1 copies imprimées disponibles
Langues : Français (fre)
Catégories : Français - Anglais
ChimieTags : chimie:Chimie théorique Activité antioxydante activité anti-tyrosinase DFT Docking moléculaire oximes azométhines phénylhydrazones semicarbazones antioxidant activity anti-tyrosinase activity molecular docking azomethines phenylhydrazones النشاط المضاد للأكسدة النشاط المضاد للتيروزيناز نظرية DFT الالتحام الجزئي الاكسيمات الازوميتينات الفينيلهيدرازوانات السيمكاربانونات Index. décimale : 540 Chimie et sciences connexes Résumé : The search for compounds of therapeutic interest more and more effective with the minimum of possible adverse effects remains a challenge for scientists and pharmaceutical players. In this thesis, we first synthesized a series of nitrogenous organic compounds classified into four families which are oximes, azomethines, phenylhydrazones and semicarbazones. We subjected them to antioxidant activity tests (DPPH, CUPRAC and iron reducing power). Moreover, molecular modeling calculations with density functional theory (DFT) have been carried out on our molecules in order to determine certain molecular descriptors (BDE, IP, PDE, PA and ETE) which allow us to analyze and to explain the experimental results. All calculations were performed using the Gaussian 09 software. Finally, we tested their anti-enzymatic activity and performed in parallel, it’s in silico simulation through a molecular docking calculation. The antioxidant activity tests were very satisfactory and showed a well-established antioxidant power for the tested compounds, especially for the DPPH scavenging test and the CUPRAC test. Indeed, for these two tests some molecules had a much better activity than the standard antioxidants used: butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT). On the other hand, the values of the molecular descriptors obtained are in good agreement with the experimental results. The analysis of these descriptors allowed us to propose mechanisms for the radical activity of our molecules. On the other hand, the tests of the anti-enzymatic activity revealed a moderate activity for the tested compounds and the enzyme-ligand interactions thus engaged, are listed after the analysis of the results of the molecular docking carried out. The results obtained showed a good correlation between the theoretical and experimental studies, confirming the antioxidant power of our compounds, which could allow them to be used in the pharmaceutical and food industries, while noting their obedience to Lipinski's rules. Finally, further tests are recommended to ratify these results.
Diplôme : Doctorat en sciences En ligne : ../theses/chimie/BEN7590.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=11258 Exemplaires (1)
Code-barres Cote Support Localisation Section Disponibilité BEN/7590 BEN/7590 Thèse Bibliothèque principale Thèses Disponible
Titre : Investigation phytochimique et biologique des espèces Centaurea involucrata, Senecio massaicus, Thymus algeriensis et Marrubium vulgare. Type de document : texte imprimé Auteurs : Sara Kebbi ép Chebli, Auteur ; Ramdane Seghiri, Directeur de thèse Mention d'édition : 06-juin-21 Editeur : جامعة الإخوة منتوري قسنطينة Année de publication : 2021 Importance : 255 f. Format : 30 cm. Note générale : Doctorat 3éme CYCLE LMD.
1 copies imprimées disponibles
Langues : Français (fre) Catégories : Français - Anglais
ChimieTags : Chimie:Chimie Pharmaceutique Chimie Pharmaceutique: Analyses physicochimiques, contrôle qualité et synthèse de substances bioactives Centaurea involucrata Desf. huiles essentielles docking moléculaire Covid-19 GC/MS antiproliférative anticholinestérase essential oil molecular docking anticancer anticholinesterase الزيوت الأساسية الالتحام الجزيئي كوفيد 19مضادات التكاثر مضادات الكولينستيراز Index. décimale : 540 Chimie et sciences connexes Résumé :
On the one hand, this study is focused on a phytochemical and biological investigation of Centaurea involucrata Desf., an Algerian species that has never been the subject of phytochemical investigation. On the other hand, the chemical composition of the essential oils of Thymus algeriensis , Marrubium vulgare, and Senecio massaicus aerial parts, as well as the assessment of the biological activities of the last specie's essential oil. The petroleum ether extract of C. involucrata was studied using GC-MS, and 13 compounds were identified, the majority of which have a wide range of activities. The HPLC/DAD analysis of phenolic acids and flavonoids of chloroform and n-butanol extracts showed the presence of seven phenolic acids and three flavonoids. While, the LC-MS/MS analysis of the ethyl acetate extract showed the presence of 26 phenolic compounds. The various chromatographics methods of separation used in our research allowed the insulation of 11 products from the ethyl acetate extract. The structures of these compounds were elucidated by combining the results of analyzes of UV spectra, 1D NMR (1H, 13C and DEPT) and 2D NMR (COZY, HSQC, HMBC and NOESY) and by comparison with data from the literature. The biological activity tests on the extracts, which included antioxidant, antimicrobial, and anticancer activity, showed that the species has notable antioxidant and anticancer activities. The chemical analysis of the essential oil of the aerial parts of T. algeriensis, M. vulgare and S. massaicus by GC-MS, showed that the major constituents are: germacrene D (29.6%), β-caryophyllene (11.0%) for T. algeriensis, β-bisabolene (36.3%) for M. vulgare and m-cymene (30.5%), n-hexadecanoic acid (14.8%), and docosane-11-decyl (10.43%) for S. massaicus. The essential oil of S. massaicus has on one hand moderate antioxidant activity, and the other hand has a higher power of inhibition against butyrylcholinesterase (BChE) compared to acetylcholinesterase (AChE). The molecular docking study shows that the compounds docosane-11-decyl and octaethyleneglycol monododecyl ether exhibited a strong interaction against enzymes linked to Alzheimer's disease and against the main protease Covid-19 and endoribonuclease Nsp15.
Note de contenu : Annexes. Diplôme : Doctorat En ligne : ../theses/chimie/KEB7762.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=11595 Investigation phytochimique et biologique des espèces Centaurea involucrata, Senecio massaicus, Thymus algeriensis et Marrubium vulgare. [texte imprimé] / Sara Kebbi ép Chebli, Auteur ; Ramdane Seghiri, Directeur de thèse . - 06-juin-21 . - جامعة الإخوة منتوري قسنطينة, 2021 . - 255 f. ; 30 cm.
Doctorat 3éme CYCLE LMD.
1 copies imprimées disponibles
Langues : Français (fre)
Catégories : Français - Anglais
ChimieTags : Chimie:Chimie Pharmaceutique Chimie Pharmaceutique: Analyses physicochimiques, contrôle qualité et synthèse de substances bioactives Centaurea involucrata Desf. huiles essentielles docking moléculaire Covid-19 GC/MS antiproliférative anticholinestérase essential oil molecular docking anticancer anticholinesterase الزيوت الأساسية الالتحام الجزيئي كوفيد 19مضادات التكاثر مضادات الكولينستيراز Index. décimale : 540 Chimie et sciences connexes Résumé :
On the one hand, this study is focused on a phytochemical and biological investigation of Centaurea involucrata Desf., an Algerian species that has never been the subject of phytochemical investigation. On the other hand, the chemical composition of the essential oils of Thymus algeriensis , Marrubium vulgare, and Senecio massaicus aerial parts, as well as the assessment of the biological activities of the last specie's essential oil. The petroleum ether extract of C. involucrata was studied using GC-MS, and 13 compounds were identified, the majority of which have a wide range of activities. The HPLC/DAD analysis of phenolic acids and flavonoids of chloroform and n-butanol extracts showed the presence of seven phenolic acids and three flavonoids. While, the LC-MS/MS analysis of the ethyl acetate extract showed the presence of 26 phenolic compounds. The various chromatographics methods of separation used in our research allowed the insulation of 11 products from the ethyl acetate extract. The structures of these compounds were elucidated by combining the results of analyzes of UV spectra, 1D NMR (1H, 13C and DEPT) and 2D NMR (COZY, HSQC, HMBC and NOESY) and by comparison with data from the literature. The biological activity tests on the extracts, which included antioxidant, antimicrobial, and anticancer activity, showed that the species has notable antioxidant and anticancer activities. The chemical analysis of the essential oil of the aerial parts of T. algeriensis, M. vulgare and S. massaicus by GC-MS, showed that the major constituents are: germacrene D (29.6%), β-caryophyllene (11.0%) for T. algeriensis, β-bisabolene (36.3%) for M. vulgare and m-cymene (30.5%), n-hexadecanoic acid (14.8%), and docosane-11-decyl (10.43%) for S. massaicus. The essential oil of S. massaicus has on one hand moderate antioxidant activity, and the other hand has a higher power of inhibition against butyrylcholinesterase (BChE) compared to acetylcholinesterase (AChE). The molecular docking study shows that the compounds docosane-11-decyl and octaethyleneglycol monododecyl ether exhibited a strong interaction against enzymes linked to Alzheimer's disease and against the main protease Covid-19 and endoribonuclease Nsp15.
Note de contenu : Annexes. Diplôme : Doctorat En ligne : ../theses/chimie/KEB7762.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=11595 Exemplaires (1)
Code-barres Cote Support Localisation Section Disponibilité KEB/7762 KEB/7762 Thèse Bibliothèque principale Thèses Disponible
Titre : Synthèse, caractérisation, évaluation de l’activité biologique et étude du pouvoir catalytique de nouveaux complexes à base de ligands carbènes N-hétérocycliques. Type de document : texte imprimé Auteurs : Sarra Lasmari ép Ikhlef, Auteur ; Raouf Boulcina, Directeur de thèse Mention d'édition : 13/07/2021 Editeur : جامعة الإخوة منتوري قسنطينة Année de publication : 2021 Importance : 198 f. Format : 30 cm. Note générale : Doctorat 3éme CYCLE LMD.
1 copies imprimées disponibles
Langues : Français (fre) Catégories : Français - Anglais
ChimieTags : Chimie: Chimie Organique benzimidazole imidazole complexes PEPPSI activité catalytique carbènes Nhétérocycliques activité biologique Docking moléculaire PEPPSI complexes catalytic activity carbenes biological activity Molecular docking البنزيميدازول الايميدازول معقدات بيبسي كربينات حلقية غير متجانسة النشاط البيولوجي الالتحام الجزيئي Index. décimale : 540 Chimie et sciences connexes Résumé :
The main objective of this work was the development and the synthesis of complexes of biological and catalytic interest, comprising N-heterocyclic carbenes (NHCs). In fact, in the first part of this work, we have developed the synthesis of two new series of N-heterocyclic carbenes bearing benzimidazolium and imidazoluim moieties, before proceeding subsequently to the preparation of Pd-NHCs complexes of type PEPPSI and AgNHCs silver complexes from the starting NHCs ligands. All the synthesized complexes are original and obtained with good yields. The second part is devoted to the study of the catalytic and biological power of all the synthesized complexes. First, we evaluated the catalytic effect of palladium complexes in the direct arylation reaction at position C5 and C2 of 2-acetylfuran, 2-acetylthiophene, 2- carboxaldehydefuran and 4,5-dimethylthiazole by aryl halides. We found that all of the palladium complexes gave a very good catalytic effect in the process of activating the C-H bond. The antibacterial activity of salts 2-8 and the corresponding Ag-NHCs 29-34 complexes as well as the anticholinesterase activity (AChE / BChE) performed on all the prepared complexes 18-34 gave promising results. The experimental results of the inhibitory activity of AChE and BChE showed satisfactory agreement with the results of molecular
docking.
Note de contenu :
Annexes.Diplôme : Doctorat En ligne : ../theses/chimie/LAS7788.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=11620 Synthèse, caractérisation, évaluation de l’activité biologique et étude du pouvoir catalytique de nouveaux complexes à base de ligands carbènes N-hétérocycliques. [texte imprimé] / Sarra Lasmari ép Ikhlef, Auteur ; Raouf Boulcina, Directeur de thèse . - 13/07/2021 . - جامعة الإخوة منتوري قسنطينة, 2021 . - 198 f. ; 30 cm.
Doctorat 3éme CYCLE LMD.
1 copies imprimées disponibles
Langues : Français (fre)
Catégories : Français - Anglais
ChimieTags : Chimie: Chimie Organique benzimidazole imidazole complexes PEPPSI activité catalytique carbènes Nhétérocycliques activité biologique Docking moléculaire PEPPSI complexes catalytic activity carbenes biological activity Molecular docking البنزيميدازول الايميدازول معقدات بيبسي كربينات حلقية غير متجانسة النشاط البيولوجي الالتحام الجزيئي Index. décimale : 540 Chimie et sciences connexes Résumé :
The main objective of this work was the development and the synthesis of complexes of biological and catalytic interest, comprising N-heterocyclic carbenes (NHCs). In fact, in the first part of this work, we have developed the synthesis of two new series of N-heterocyclic carbenes bearing benzimidazolium and imidazoluim moieties, before proceeding subsequently to the preparation of Pd-NHCs complexes of type PEPPSI and AgNHCs silver complexes from the starting NHCs ligands. All the synthesized complexes are original and obtained with good yields. The second part is devoted to the study of the catalytic and biological power of all the synthesized complexes. First, we evaluated the catalytic effect of palladium complexes in the direct arylation reaction at position C5 and C2 of 2-acetylfuran, 2-acetylthiophene, 2- carboxaldehydefuran and 4,5-dimethylthiazole by aryl halides. We found that all of the palladium complexes gave a very good catalytic effect in the process of activating the C-H bond. The antibacterial activity of salts 2-8 and the corresponding Ag-NHCs 29-34 complexes as well as the anticholinesterase activity (AChE / BChE) performed on all the prepared complexes 18-34 gave promising results. The experimental results of the inhibitory activity of AChE and BChE showed satisfactory agreement with the results of molecular
docking.
Note de contenu :
Annexes.Diplôme : Doctorat En ligne : ../theses/chimie/LAS7788.pdf Format de la ressource électronique : Permalink : index.php?lvl=notice_display&id=11620 Exemplaires (1)
Code-barres Cote Support Localisation Section Disponibilité LAS/7788 LAS/7788 Thèse Bibliothèque principale Thèses Disponible
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