Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Stability and binding effects of silver(I) complexes at lipoxygenase-1
Δημιουργός/Συγγραφέας:	Vrontaki E. Leonis G. Avramopoulos A. [EL] Παπαδόπουλος, Μάνθος Γ.[EN] Papadopoulos, Manthos G. Simčič M. Grdadolnik S.G. Afantitis A. Melagraki G. Hadjikakou S.K. [EL] Μαυρομούστακος, Θωμάς[EN] Mavromoustakos, Thomas
Εκδότης:	Taylor and Francis Ltd
Ημερομηνία:	2015
Γλώσσα:	Αγγλικά
ISSN:	1475-6366
DOI:	10.3109/14756366.2014.951348
Άλλο:	PubMed ID: 25373502
Περίληψη:	An anti-inflammatory complex of Ag(I), namely [Ag(tpp)3(asp)](dmf) [tpp = triphenylphosphine, aspH = aspirin, dmf = N,N-dimethylformamide], was synthesized in an attempt to develop novel metallotherapeutic molecules. STD 1H NMR experiments were used to examine if this complex binds to LOX-1. The 1H NMR spectra in buffer Tris/D2O betrayed the existence of two complexes: the complex of aspirin and the complex of salicylic acid produced after deacetylation of aspirin. Nevertheless, the STD spectra showed that only the complex of salicylic acid is bound to the enzyme. Molecular docking and dynamics were used to complement our study. The complexes were stabilized inside a large LOX-1 cavity by establishing a network of hydrogen bonds and steric interactions. The complex formation with salicylic acid was more favorable. The in silico results provide a plausible explanation of the experimental results, which showed that only the complex with salicylic acid enters the binding cavity.
Τίτλος πηγής δημοσίευσης:	Journal of Enzyme Inhibition and Medicinal Chemistry
Τόμος/Κεφάλαιο:	30
Τεύχος:	4
Σελίδες:	539-549
Θεματική Κατηγορία:	[EL] Χημεία (Γενικά)[EN] Chemistry (General)
Λέξεις-Κλειδιά:	Anti-inflammatory activity aspirin silver complex LOX-1 molecular docking and dynamics STD NMR spectroscopy
Αξιολόγηση από ομότιμους (peer reviewed):	Ναι
Κάτοχος πνευματικών δικαιωμάτων:	© 2014 Informa UK Ltd.
Σημειώσεις:	European Commission, EC: 245866. Funding provided by the European Commission for the FP7-REGPOT-2009-1 Project ‘‘ARCADE’’ (Grant Agreement No. 245866) and for the Project ‘‘NanoPUZZLES’’ (Grant Agreement No. NMP-SL-2012-309837). T
Εμφανίζεται στις συλλογές:	Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο