RT journal article
T1 In Vitro and In Silico Biological Activities Investigation of Ethyl Acetate Extract of Rubus ulmifolius Schott Leaves Collected in Algeria
A1 Bramki, Amina
A1 Benouchenne, Djamila
A1 Salvatore, Maria Michela
A1 Benslama, Ouided
A1 Andolfi, Anna
A1 Rahim, Noureddine
A1 Moussaoui, Mohamed
A1 Ramoul, Sourore
A1 Nessah, Sirine
A1 Barboucha, Ghozlane
A1 Bensouici, Chawki
A1 Cimmino, Alessio
A1 García Zorrilla, Jesús
A1 Masi, Marco
A2 Química Orgánica
K1 ADMET properties
K1 biological activities
K1 GC-MS analysis
K1 molecular docking
K1 Rubus ulmifolius
AB This investigation aimed to assess the in vitro and in silico biological properties of the ethyl acetate (EtOAc) extract obtained from leaves of Rubus ulmifolius Schott collected in Algeria. The phytochemical screening data disclosed that flavonoids, tannins, coumarins, saponins, and anthocyanins were abundant. High levels of total phenolics, total flavonoids and flavonols (523.25 ± 3.53 µg GAE/mg, 20.41 ± 1.80, and 9.62 ± 0.51 µg QE/mg respectively) were detected. Furthermore, GC-MS analysis was performed to identify low molecular weight compounds. d-(-)-Fructofuranose, gallic acid, caffeic acid, and catechin were detected as main metabolites of the EtOAc extract. The outcomes revealed that the extract exerted a potent antioxidant apt, and ensured significant bacterial growth inhibitory capacity, where the inhibition zone diameters ranged from 20.0 ± 0.5 to 24.5 ± 0.3 mm. These outcomes were confirmed through molecular docking against key bacterial enzymes that revealed significant interactions and binding affinities. d-(-)-Fructofuranose was identified as the most polar and flexible compound. Gallic acid and caffeic acid demonstrated higher unsaturation. Caffeic acid was well absorbed in the blood–brain barrier (BBB) and human intestine. Catechin was well absorbed in CaCO3, and can act as an inhibitor of CYP1A2. These results highlight how crucial it is to keep looking into natural substances in the quest for more potent and targeted pathology therapies.
PB Multidisciplinary Digital Publishing Institute (MDPI)
SN 2223-7747
YR 2024
FD 2024
LK http://hdl.handle.net/10498/36064
UL http://hdl.handle.net/10498/36064
LA eng
DS Repositorio Institucional de la Universidad de Cádiz
RD 08-nov-2026