Although there are clinical trials and in vivo studies in literature regarding the anxiolytic and antidepressant activities of the components of Crocus sativus L., their effects on the human monoamine oxidases (hMAO-A and hMAO-B), enzymes which are involved in mental disorders and neurodegenerative diseases, have not yet been investigated. We have thus examined the hMAO inhibitory activities of crocin and safranal (the most important active principles in saffron) and, subsequently, designed a series of safranal derivatives to evaluate which chemical modifications confer enhanced inhibition of the hMAO isoforms. Docking simulations were performed in order to identify key molecular recognitions of these inhibitors with both isoforms of hMAO. In this regard, different mechanisms of action were revealed. This study concludes that safranal and crocin represent useful leads for the discovery of novel hMAO inhibitors for the clinical management of psychiatric and neurodegenerative disorders.

New insights into the biological properties of Crocus sativus L.: chemical modifications, human monoamine oxidases inhibition and molecular modeling studies / DE MONTE, Celeste; Carradori, Simone; Chimenti, Paola; Secci, Daniela; Mannina, Luisa; Alcaro, F; Petzer, A; N'Da, Ci; Gidaro, Mc; Costa, G; Alcaro, S; Petzer, Jp. - In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. - ISSN 0223-5234. - STAMPA. - 82:(2014), pp. 164-171. [10.1016/j.ejmech.2014.05.048]

New insights into the biological properties of Crocus sativus L.: chemical modifications, human monoamine oxidases inhibition and molecular modeling studies

DE MONTE, CELESTE;CARRADORI, Simone;CHIMENTI, Paola;SECCI, DANIELA;MANNINA, LUISA;
2014

Abstract

Although there are clinical trials and in vivo studies in literature regarding the anxiolytic and antidepressant activities of the components of Crocus sativus L., their effects on the human monoamine oxidases (hMAO-A and hMAO-B), enzymes which are involved in mental disorders and neurodegenerative diseases, have not yet been investigated. We have thus examined the hMAO inhibitory activities of crocin and safranal (the most important active principles in saffron) and, subsequently, designed a series of safranal derivatives to evaluate which chemical modifications confer enhanced inhibition of the hMAO isoforms. Docking simulations were performed in order to identify key molecular recognitions of these inhibitors with both isoforms of hMAO. In this regard, different mechanisms of action were revealed. This study concludes that safranal and crocin represent useful leads for the discovery of novel hMAO inhibitors for the clinical management of psychiatric and neurodegenerative disorders.
2014
01 Pubblicazione su rivista::01a Articolo in rivista
New insights into the biological properties of Crocus sativus L.: chemical modifications, human monoamine oxidases inhibition and molecular modeling studies / DE MONTE, Celeste; Carradori, Simone; Chimenti, Paola; Secci, Daniela; Mannina, Luisa; Alcaro, F; Petzer, A; N'Da, Ci; Gidaro, Mc; Costa, G; Alcaro, S; Petzer, Jp. - In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. - ISSN 0223-5234. - STAMPA. - 82:(2014), pp. 164-171. [10.1016/j.ejmech.2014.05.048]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/685066
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