دورية أكاديمية
Antitumoral activity of different Amaryllidaceae alkaloids: In vitro and in silico assays.
| العنوان: | Antitumoral activity of different Amaryllidaceae alkaloids: In vitro and in silico assays. |
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| المؤلفون: | Tallini LR; Department of Biology, Healthcare and Environment, Faculty of Pharmacy and Food Sciences, University of Barcelona, 08028, Barcelona, LRTJB, Spain; Graduate Program in Pharmaceutical Sciences, Federal University of Rio Grande do Sul, 90610-000, Porto Alegre, RS, GMNMHVVLEL, Brazil. Electronic address: ruscheltallini@ub.edu., Machado das Neves G; Graduate Program in Pharmaceutical Sciences, Federal University of Rio Grande do Sul, 90610-000, Porto Alegre, RS, GMNMHVVLEL, Brazil. Electronic address: gustavo.neves@ufrgs.br., Vendruscolo MH; Graduate Program in Pharmaceutical Sciences, Federal University of Rio Grande do Sul, 90610-000, Porto Alegre, RS, GMNMHVVLEL, Brazil. Electronic address: maria.vendruscolo@ufrgs.br., Rezende-Teixeira P; Department of Pharmacology, University of São Paulo, 05508-000, São Paulo, SP, Brazil. Electronic address: paularez@usp.br., Borges W; Department of Chemistry, Federal University of Espírito Santo, 29075-910, Vitória, ES, Brazil. Electronic address: warley.borges@ufes.br., Bastida J; Department of Biology, Healthcare and Environment, Faculty of Pharmacy and Food Sciences, University of Barcelona, 08028, Barcelona, LRTJB, Spain. Electronic address: jaumebastida@ub.edu., Costa-Lotufo LV; Department of Pharmacology, University of São Paulo, 05508-000, São Paulo, SP, Brazil. Electronic address: costalotufo@usp.br., Eifler-Lima VL; Graduate Program in Pharmaceutical Sciences, Federal University of Rio Grande do Sul, 90610-000, Porto Alegre, RS, GMNMHVVLEL, Brazil. Electronic address: veraeifler@ufrgs.br., Zuanazzi JAS; Graduate Program in Pharmaceutical Sciences, Federal University of Rio Grande do Sul, 90610-000, Porto Alegre, RS, GMNMHVVLEL, Brazil. Electronic address: zuanazzi@ufrgs.br. |
| المصدر: | Journal of ethnopharmacology [J Ethnopharmacol] 2024 Jul 15; Vol. 329, pp. 118154. Date of Electronic Publication: 2024 Apr 12. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Elsevier Sequoia Country of Publication: Ireland NLM ID: 7903310 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1872-7573 (Electronic) Linking ISSN: 03788741 NLM ISO Abbreviation: J Ethnopharmacol Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: Limerick : Elsevier Sequoia Original Publication: Lausanne, Elsevier Sequoia. |
| مواضيع طبية MeSH: | Amaryllidaceae Alkaloids*/pharmacology , Amaryllidaceae Alkaloids*/chemistry , Molecular Docking Simulation* , Antineoplastic Agents, Phytogenic*/pharmacology , Antineoplastic Agents, Phytogenic*/chemistry, Humans ; Cell Line, Tumor ; MCF-7 Cells ; Amaryllidaceae/chemistry ; HCT116 Cells ; Computer Simulation ; Phenanthridines/pharmacology ; Phenanthridines/chemistry ; Isoquinolines |
| مستخلص: | Ethnopharmacology Relevance: The plants of Amaryllidaceae family, such as Amaryllis belladonna L., have been used as herbal remedies for thousands of years to address various disorders, including diseases that might today be identified as cancer. Aim of the Study: The objective of this work was to evaluate the potential of three Amaryllidaceae alkaloids against four cancer cell lines. Material and Methods: The alkaloids lycorine, 1-O-acetylcaranine, and montanine were evaluated in vitro against colon adenocarcinoma cell line (HCT-116) and breast carcinoma cell lines (MCF-7, MDAMB231, and Hs578T). Computational experiments (target prediction and molecular docking) were conducted to gain a deeper comprehension of possible interactions between these alkaloids and potential targets associated with these tumor cells. Results: Montanine presented the best results against HCT-116, MDAMB231, and Hs578T cell lines, while lycorine was the most active against MCF-7. In alignment with the target prediction outcomes and existing literature, four potential targets were chosen for the molecular docking analysis: CDK8, EGFR, ER-alpha, and dCK. The docking scores revealed two potential targets for the alkaloids with scores similar to co-crystallized inhibitors and substrates: CDK8 and dCK. A visual analysis of the optimal docked configurations indicates that the alkaloids may interact with some key residues in contrast to the other docked compounds. This observation implies their potential to bind effectively to both targets. Conclusions: In vitro and in silico results corroborate with data literature suggesting the Amaryllidaceae alkaloids as interesting molecules with antitumoral properties, especially montanine, which showed the best in vitro results against colorectal and breast carcinoma. More studies are necessary to confirm the targets and pharmaceutical potential of montanine against these cancer cell lines. Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. (Copyright © 2024 The Authors. Published by Elsevier B.V. All rights reserved.) |
| فهرسة مساهمة: | Keywords: Cancer; Medicinal chemistry; Molecular docking; Natural products; Targets |
| المشرفين على المادة: | 0 (Amaryllidaceae Alkaloids) 0 (Antineoplastic Agents, Phytogenic) 0 (Phenanthridines) 0 (montanine) 0 (Isoquinolines) |
| تواريخ الأحداث: | Date Created: 20240413 Date Completed: 20240522 Latest Revision: 20240522 |
| رمز التحديث: | 20240523 |
| DOI: | 10.1016/j.jep.2024.118154 |
| PMID: | 38614259 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 1872-7573 |
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| DOI: | 10.1016/j.jep.2024.118154 |