Molecules, Vol. 25, Pages 2678: Rutamarin: Efficient Liquid –Liquid Chromatographic Isolation from Ruta graveolens L. and Evaluation of Its In Vitro and In Silico MAO-B Inhibitory Activity
Molecules, Vol. 25, Pages 2678: Rutamarin: Efficient Liquid–Liquid Chromatographic Isolation from Ruta graveolens L. and Evaluation of Its In Vitro and In Silico MAO-B Inhibitory Activity
Molecules doi: 10.3390/molecules25112678
Authors:
Ewelina Kozioł
Simon Vlad Luca
Hale Gamze Ağalar
Begüm Nurpelin Sağlık
Fatih Demirci
Laurence Marcourt
Jean-Luc Wolfender
Krzysztof Jóźwiak
Krystyna Skalicka-Woźniak
Naturally occurring coumarins are a group of compounds with many documented central nervous system (CNS) activities. However, dihydrofuranocoumarins have been infrequently investigated for their bioactivities at CNS level. Within the frame of this study, an efficient liquid–liquid chromatography method was developed to rapidly isolate rutamarin from Ruta graveolens L. (Rutaceae) dichloromethane extract (DCM). The crude DCM (9.78 mg/mL) and rutamarin (6.17 M) were found to be effective inhibitors of human monoamine oxidase B (hMAO-B) with inhibition percentages of 89.98% and 95.26%, respectively. The inhibitory activity against human monoamine oxidase A (hMAO-A) for the DCM extract was almost the same (88.22%). However, for rutamarin, it significantly dropped to 25.15%. To examine the molecular interaction of rutamarin with hMAO- B, an in silico evaluation was implemented. A docking study was performed for the two enantiomers (R)-rutamarin and (S)-rutamarin. The (S)-rutamarin was found to bind stronger to the hMAO-B binging cavity.
Source: Molecules - Category: Chemistry Authors: Ewelina Kozio ł Simon Vlad Luca Hale Gamze A ğalar Beg üm Nurpelin Sağlık Fatih Demirci Laurence Marcourt Jean-Luc Wolfender Krzysztof J óźwiak Krystyna Skalicka-Wo źniak Tags: Article Source Type: research