دورية أكاديمية
Evaluation of Bauhinia ungulata Essential Oil as a New Acetylcholinesterase Inhibitor from an in silico and in vitro Perspective in the Northern Amazon of Brazil.
| العنوان: | Evaluation of Bauhinia ungulata Essential Oil as a New Acetylcholinesterase Inhibitor from an in silico and in vitro Perspective in the Northern Amazon of Brazil. |
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| المؤلفون: | Medeiros SRNA; Biodiversity and Biotechnology of the Legal Amazon, PPG Bionorte, Federal University of Roraima (UFRR).; Keizo Asami Institute, Federal University of Pernambuco (UFPE)., Bezerra IC; Keizo Asami Institute, Federal University of Pernambuco (UFPE)., Pedroza LAL; Keizo Asami Institute, Federal University of Pernambuco (UFPE)., Silva AJD; Keizo Asami Institute, Federal University of Pernambuco (UFPE)., Martins RMG; Biotechnology Multi-Institutional Program, PPGBIOTEC, Federal University of Amazonas (UFAM)., Menezes TM; Engineering Campus - Academic Unit of Cabo de Santo Agostinho; Federal Rural University of Pernambuco (UFRPE)., Gonçalves Reis de Melo AC; Environmental Chemistry Laboratory, Center for Research and Postgraduate in Science and Technology, Federal University of Roraima (UFRR)., Neves JL; Biological Chemistry Laboratory, Department of Fundamental Chemistry, Federal University of Pernambuco (UFPE)., Gubert P; Keizo Asami Institute, Federal University of Pernambuco (UFPE).; Graduate Program in Biology Applied to Health, Federal University of Pernambuco., Filho AAM; Biodiversity and Biotechnology of the Legal Amazon, PPG Bionorte, Federal University of Roraima (UFRR).; Environmental Chemistry Laboratory, Center for Research and Postgraduate in Science and Technology, Federal University of Roraima (UFRR).; Postgraduate Program in Biotechnology and Biodiversity of Amazon, Environmental Chemistry Laboratory, Department of Chemistry, Center for Research and Postgraduate in Science and Technology, Federal University of Roraima (UFRR). |
| المصدر: | Journal of oleo science [J Oleo Sci] 2024; Vol. 73 (8), pp. 1091-1104. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Japan Oil Chemists' Society Country of Publication: Japan NLM ID: 101175339 Publication Model: Print Cited Medium: Internet ISSN: 1347-3352 (Electronic) Linking ISSN: 13458957 NLM ISO Abbreviation: J Oleo Sci Subsets: MEDLINE |
| أسماء مطبوعة: | Original Publication: Tokyo : Japan Oil Chemists' Society |
| مواضيع طبية MeSH: | Cholinesterase Inhibitors*/pharmacology , Cholinesterase Inhibitors*/chemistry , Bauhinia*/chemistry , Molecular Docking Simulation* , Acetylcholinesterase*/metabolism , Oils, Volatile*/chemistry , Oils, Volatile*/pharmacology, Brazil ; Computer Simulation ; Sesquiterpenes/pharmacology ; Sesquiterpenes/isolation & purification ; Sesquiterpenes/chemistry |
| مستخلص: | The Bauhinia ungulata, also known by its common name "pata de vaca", is one of the species used in Brazil for medicinal purposes, and is commonly used for the treatment of diabetes. In this study, the authors studied the interaction between the chemical constituents which are present in the essential oil of Bauhinia ungulata (EOBU), collected in Boa Vista-RR, Legal Amazon, and their effects on the enzyme acetylcholinesterase (AChE) in the essential oil. The analysis that we perform includes proton magnetic resonance ( 1 H NMR), enzymatic inhibition, molecular docking, in silico toxicity prediction, enrichment analysis, and target prediction for biological interactions. According to the tests performed on the essential oil, it obtained 100% inhibition of the enzyme AChE. During 1 H NMR experiments, it was found that α- Bisabolol, one of the main components, had a significant alteration in its chemical shift. A molecular docking analysis confirmed that this compound binds to the AChE enzyme, which confirms the 1 H NMR analysis. The results of this work showed that the major component of EOBU acted as a possible inhibitor of AChE enzyme in vitro and in silico assays. These results show that EOBU could be potentially applied in Alzheimer's disease treatment. |
| فهرسة مساهمة: | Keywords: Alzheimer; acetylcholinesterase inhibitors; essential oil; neurodegenerative diseases; α-Bisabolol |
| المشرفين على المادة: | 0 (Cholinesterase Inhibitors) EC 3.1.1.7 (Acetylcholinesterase) 0 (Oils, Volatile) 0 (Sesquiterpenes) |
| تواريخ الأحداث: | Date Created: 20240731 Date Completed: 20240731 Latest Revision: 20240731 |
| رمز التحديث: | 20240801 |
| DOI: | 10.5650/jos.ess23148 |
| PMID: | 39085083 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 1347-3352 |
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| DOI: | 10.5650/jos.ess23148 |