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| Titre : | Exploration of Ecballium elaterium (L.) A. Rich. anticancer activity via the targeting of the PI3K/Akt/mTOR signaling pathway | | Type de document : | document électronique | | Auteurs : | Aicha Bechiche, Auteur ; Ikhlas Nimour, Auteur ; Selma Houchi, Directeur de thèse | | Editeur : | Sétif : Faculté des Sciences de la Nature et de la Vie | | Année de publication : | 2024 | | Importance : | 76 Feuilles | | ISBN/ISSN/EAN : | MS/2023 | | Langues : | Anglais | | Catégories : | Thèse et mémoire:Master:Biotechnologie et pathologie moléculaire
| | Mots-clés : | ADME Cancer Docking Ecballium elaterium Target Prediction. | | Résumé : |
Worldwide, cancer ranks high among the top causes of death, making it a major concern in public health. It is well known that in Algeria Ecballium elaterium (L.) A.Rich. has been used, as medicinal plant, for its anticancer activity. In this study, we seek to validate the anticancer potential of E. elaterium’s bioactive compounds (EeBC) by targeting the PI3K/Akt/mTOR signaling pathway. Initially, an ethnobotanical investigation was conducted in twenty-five distinct areas in Algeria Then, a computational study on fourteen EeBC, was carried out for the prediction of their pharmacokinetics ADME, Swiss Target Prediction (STP) properties, and Docking analysis. The results of our survey show that women dominate the practice of the traditional plant at 72%. Different routes were reported in administration of E. elaterium preparations. The major route of administration in this study area is nasal (52%). E. elaterium is indicated for the treatment of sinusitis (30%), jaundice (26%) and cancer (19%). In Lipinski Filter, Narcissin, Rutin, Kaempferol-3-O-rutinoside, Isorhamnetin 3-O-glucoside provided more than one violation, suggested poor bioavailability as oral drugs. These compounds exhibit good LogP values (log P ≤5), indicating their lipophilicity, which is advantageous for mucosal absorption. The kinase enzymes and the A family of G protein-coupled receptors make up a significant fraction of the probable target classes for all EeBC. Based on docking results, Narcissin, Rutin, Kaempferol-3-o-rutinoside, Cucurbitacin B, D et E are the most effective triple inhibitor against multiple cancer since it inhibits not only PI3K and AKT but also mTOR with binding energies ranging from −6.4 to −9.9 kcal/mol. |
Exploration of Ecballium elaterium (L.) A. Rich. anticancer activity via the targeting of the PI3K/Akt/mTOR signaling pathway [document électronique] / Aicha Bechiche, Auteur ; Ikhlas Nimour, Auteur ; Selma Houchi, Directeur de thèse . - Sétif : Faculté des Sciences de la Nature et de la Vie, 2024 . - 76 Feuilles. ISSN : MS/2023 Langues : Anglais | Catégories : | Thèse et mémoire:Master:Biotechnologie et pathologie moléculaire
| | Mots-clés : | ADME Cancer Docking Ecballium elaterium Target Prediction. | | Résumé : |
Worldwide, cancer ranks high among the top causes of death, making it a major concern in public health. It is well known that in Algeria Ecballium elaterium (L.) A.Rich. has been used, as medicinal plant, for its anticancer activity. In this study, we seek to validate the anticancer potential of E. elaterium’s bioactive compounds (EeBC) by targeting the PI3K/Akt/mTOR signaling pathway. Initially, an ethnobotanical investigation was conducted in twenty-five distinct areas in Algeria Then, a computational study on fourteen EeBC, was carried out for the prediction of their pharmacokinetics ADME, Swiss Target Prediction (STP) properties, and Docking analysis. The results of our survey show that women dominate the practice of the traditional plant at 72%. Different routes were reported in administration of E. elaterium preparations. The major route of administration in this study area is nasal (52%). E. elaterium is indicated for the treatment of sinusitis (30%), jaundice (26%) and cancer (19%). In Lipinski Filter, Narcissin, Rutin, Kaempferol-3-O-rutinoside, Isorhamnetin 3-O-glucoside provided more than one violation, suggested poor bioavailability as oral drugs. These compounds exhibit good LogP values (log P ≤5), indicating their lipophilicity, which is advantageous for mucosal absorption. The kinase enzymes and the A family of G protein-coupled receptors make up a significant fraction of the probable target classes for all EeBC. Based on docking results, Narcissin, Rutin, Kaempferol-3-o-rutinoside, Cucurbitacin B, D et E are the most effective triple inhibitor against multiple cancer since it inhibits not only PI3K and AKT but also mTOR with binding energies ranging from −6.4 to −9.9 kcal/mol. |
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Affiner la rechercheExploration of Ecballium elaterium (L.) A. Rich. anticancer activity via the targeting of the PI3K/Akt/mTOR signaling pathway / Aicha Bechiche / Sétif : Faculté des Sciences de la Nature et de la Vie (2024)
