Faculty and Student Publications
Document Type
Article
Publication Date
2-26-2021
Abstract
Selective factor Xa inhibitors effectively block coagulation cascade with a broader therapeutic window than multitargeted anticoagulants. They have evolved as a crucial part of prevention and treatment of thromboembolic diseases and in therapeutic protocols involved in many clinical trials in coronavirus disease 2019 (COVID-19) patients. Biologically-guided isolation of specific FXa inhibitors from licorice (Glycyrrhiza glabra) root extract furnished ten flavonoids. By detailed analysis of their1H,13C NMR and MS data, the structures of these flavonoids were established as 7,4′-dihydroxyflavone (1), formononetin (2), 3-R-glabridin (3), isoliquiritigenin (4), liquiritin (5), naringenin 5-O-glucoside (6), 3,3′,4,4′-tetrahydroxy-2-methoxychalcone (7), liquiritinapioside (8) and the two isomers isoliquiritigenin-4′-O-β-d-apiosylglucoside (9) and isoliquiritigenin-4-O-β-d-apiosylglucoside (10). All the isolated compounds were assessed for their FXa inhibitory activity usingin vitrochromogenic assay for the first time. Liquirtin (5) showed the most potent inhibitory effects with an IC50of 5.15 μM. The QikProp module was implemented to perform ADMET predictions for the screened compounds.
Relational Format
journal article
Recommended Citation
Ibrahim, R. S., Mahrous, R. S. R., Abu EL-Khair, R. M., Ross, S. A., Omar, A. A., & Fathy, H. M. (2021). Biologically guided isolation and ADMET profile of new factor Xa inhibitors from Glycyrrhiza glabra roots using in vitro and in silico approaches. RSC Advances, 11(17), 9995–10001. https://doi.org/10.1039/D1RA00359C
DOI
10.1039/d1ra00359c
Accessibility Status
Searchable text