In vitro and in silico evaluation of antioxidant and anticholinesterase effects of metabolites from the Algerian tree, Ficus salicifolia vahl

This study presents the first report on phytochemical and biological investigations of the Algerian Ficus salicifolia Vahl. Bergapten (2), umbelliferone (3), trans-isoimperatorin hydroxylate (4) as the first report in this genus and (-)−oxypeucedanin hydrate (synonym prangol, 5) were isolated from the chloroform extract (FSCE), besides rutin (1), collected from the aqueous solution after the chloroform partitioning. These metabolites were identified by extensive NMR and ESI-MS experiments. By the in vitro antioxidant and anticholinesterase (AChE/BChE) evaluation, FSCE and 1 demonstrated substantial antioxidant potential against DPPH and ABTS, 2 showed good inhibition of AChE (IC50 14.17 ± 0.30 µg/mL). and BChE (IC50 11.31 ± 1.37 µg/mL), 4 exhibited the highest AChE inhibition (IC50 8.14 ± 1.76 µg/mL) and 1 showed a selective activity against BChE (IC50 8.70 ± 1.23 µg/mL). Molecular docking of each metabolite with the examined enzymes, along with the pharmacokinetic parameters and drug-likeness predicted by ADMET analysis indicated metabolite 4 as the most promising cholinesterase inhibitor.