دورية أكاديمية
أعرض في EDS

In Silico Study, Physicochemical, and In Vitro Lipase Inhibitory Activity of α , β -Amyrenone Inclusion Complexes with Cyclodextrins.

التفاصيل البيبلوغرافية
العنوان: In Silico Study, Physicochemical, and In Vitro Lipase Inhibitory Activity of α , β -Amyrenone Inclusion Complexes with Cyclodextrins.
المؤلفون: Oliveira LC; Pharmacy Department, Federal University of Rio Grande do Norte, Natal 59012-570, RN, Brazil., Menezes DLB; Pharmacy Department, Federal University of Rio Grande do Norte, Natal 59012-570, RN, Brazil., Silva VCD; Pharmacy Department, Federal University of Rio Grande do Norte, Natal 59012-570, RN, Brazil., Lourenço EMG; Pharmacy Department, Federal University of Rio Grande do Norte, Natal 59012-570, RN, Brazil., Miranda PHS; Pharmacy Department, Federal University of Rio Grande do Norte, Natal 59012-570, RN, Brazil., Silva MJAD; Biological Activity Laboratory, Pharmacy Department, Federal University of Amazonas, Manaus 69077-000, AM, Brazil., Lima ES; Biological Activity Laboratory, Pharmacy Department, Federal University of Amazonas, Manaus 69077-000, AM, Brazil., Júnior VFDV; Chemistry Department, Military Engineering Institute, Rio de Janeiro 22290270, RJ, Brazil., Marreto RN; Pharmacy Department, Federal University of Goiás, Goiás 74605-170, GO, Brazil., Converti A; Department of Civil, Chemical and Environmental Engineering, University of Genoa, I-16145 Genoa, Italy., Barbosa EG; Pharmacy Department, Federal University of Rio Grande do Norte, Natal 59012-570, RN, Brazil., Lima ÁAN; Pharmacy Department, Federal University of Rio Grande do Norte, Natal 59012-570, RN, Brazil.
المصدر: International journal of molecular sciences [Int J Mol Sci] 2021 Sep 13; Vol. 22 (18). Date of Electronic Publication: 2021 Sep 13.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067 (Electronic) Linking ISSN: 14220067 NLM ISO Abbreviation: Int J Mol Sci Subsets: MEDLINE
أسماء مطبوعة: Original Publication: Basel, Switzerland : MDPI, [2000-
مواضيع طبية MeSH: Enzyme Inhibitors/*pharmacology , Lipase/*antagonists & inhibitors , Triterpenes/*pharmacology , beta-Cyclodextrins/*pharmacology, Animals ; Calorimetry, Differential Scanning ; Computer Simulation ; Enzyme Inhibitors/chemistry ; Lipase/chemistry ; Orlistat/pharmacology ; Solubility/drug effects ; Spectroscopy, Fourier Transform Infrared ; Swine ; Triterpenes/chemical synthesis ; Triterpenes/chemistry ; X-Ray Diffraction ; beta-Cyclodextrins/chemistry
مستخلص: α , β -amyrenone (ABAME) is a triterpene derivative with many biological activities; however, its potential pharmacological use is hindered by its low solubility in water. In this context, the present work aimed to develop inclusion complexes (ICs) of ABAME with γ - and β -cyclodextrins (CD), which were systematically characterized through molecular modeling studies as well as FTIR, XRD, DSC, TGA, and SEM analyses. In vitro analyses of lipase activity were performed to evaluate possible anti-obesity properties. Molecular modeling studies indicated that the CD:ABAME ICs prepared at a 2:1 molar ratio would be more stable to the complexation process than those prepared at a 1:1 molar ratio. The physicochemical characterization showed strong evidence that corroborates with the in silico results, and the formation of ICs with CD was capable of inducing changes in ABAME physicochemical properties. ICs was shown to be a stronger inhibitor of lipase activity than Orlistat and to potentiate the inhibitory effects of ABAME on porcine pancreatic enzymes. In conclusion, a new pharmaceutical preparation with potentially improved physicochemical characteristics and inhibitory activity toward lipases was developed in this study, which could prove to be a promising ingredient for future formulations.
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معلومات مُعتمدة: 001 Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
فهرسة مساهمة: Keywords: amyrenone; cyclodextrins; inclusion complexes; lipase activity; triterpenes
المشرفين على المادة: 0 (Enzyme Inhibitors)
0 (Triterpenes)
0 (beta-Cyclodextrins)
638-96-0 (alpha-amyrenone)
95M8R751W8 (Orlistat)
EC 3.1.1.3 (Lipase)
تواريخ الأحداث: Date Created: 20210928 Date Completed: 20211019 Latest Revision: 20240403
رمز التحديث: 20240403
مُعرف محوري في PubMed: PMC8468659
DOI: 10.3390/ijms22189882
PMID: 34576044
قاعدة البيانات: MEDLINE
الوصف
تدمد:1422-0067
DOI:10.3390/ijms22189882