Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Biological and computational evaluation of resveratrol inhibitors against Alzheimers disease
Δημιουργός/Συγγραφέας:	Koukoulitsa C. [EL] Βιλλιαλονγκα-Μπαρμπέρ, Καρολίνα[EN] Villalonga-Barber, Carolina Csonka R. Alexi X. Leonis G. Dellis D. Hamelink E. Belda O. [EL] Στηλ, Μπάρυ[EN] Steele, Barry R. [EL] Μίχα-Σκρέττα, Μαρία[EN] Micha-Screttas, Maria [EL] Αλέξης, Μιχαήλ Ν.[EN] Alexis, Michael N. [EL] Παπαδόπουλος, Μάνθος Γ.[EN] Papadopoulos, Manthos G. [EL] Μαυρομούστακος, Θωμάς[EN] Mavromoustakos, Thomas
Εκδότης:	Taylor and Francis Ltd
Ημερομηνία:	2016
Γλώσσα:	Αγγλικά
ISSN:	1475-6366
DOI:	10.3109/14756366.2014.1003928
Άλλο:	PubMed ID: 26147348
Περίληψη:	It has been reported that beta amyloid induces production of radical oxygen species and oxidative stress in neuronal cells, which in turn upregulates β-secretase (BACE-1) expression and beta amyloid levels, thereby propagating oxidative stress and increasing neuronal injury. A series of resveratrol derivatives, known to be inhibitors of oxidative stress-induced neuronal cell death (oxytosis) were biologically evaluated against BACE-1 using homogeneous time-resolved fluorescence (TRF) assay. Correlation between oxytosis inhibitory and BACE-1 inhibitory activity of resveratrol derivatives was statistically significant, supporting the notion that BACE-1 may act as pivotal mediator of neuronal cell oxytosis. Four of the biologically evaluated resveratrol analogs demonstrated considerably higher activity than resveratrol in either assay. The discovery of some "hits" led us to initiate detailed docking studies associated with Molecular Dynamics in order to provide a plausible explanation for the experimental results and understand their molecular basis of action.
Τίτλος πηγής δημοσίευσης:	Journal of Enzyme Inhibition and Medicinal Chemistry
Τόμος/Κεφάλαιο:	31
Τεύχος:	1
Σελίδες:	67-77
Θεματική Κατηγορία:	[EL] Οργανική χημεία[EN] Organic chemistry [EL] Φαρμακευτική χημεία[EN] Pharmaceutical chemistry
Λέξεις-Κλειδιά:	Alzheimer's disease BACE-1 docking free energy calculations MM-PBSA molecular dynamics resveratrol analogs
Αξιολόγηση από ομότιμους (peer reviewed):	Ναι
Κάτοχος πνευματικών δικαιωμάτων:	© 2015 Informa UK Ltd.
Σημειώσεις:	MEST-CT-2005-020575; European Commission, EC: 245866, FP7-REGPOT- 2009-1; European Social Fund, ESF; Università degli Studi di Perugia. This research has been co-financed by the European Union (European Social Fund - ESF) and Greek national funds through the Operational Program "Education and Lifelong Learning" of the National Strategic Reference Framework (NSRF) - Research Funding Program: Heracleitus II. Investing in knowledge society through the European Social Fund. This work was supported, in part, by the European Commission through the FP7-REGPOT- 2009-1 Project "ARCADE" (Grant agreement no. 245866) and the Marie Curie Early Stage Training project "EURODESY" (contract MEST-CT-2005-020575).
Εμφανίζεται στις συλλογές:	Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο