GC–MS Profiling and In Vitro and Silico Evaluation of Biological Propensities of Saudi Cultivar of Sugar Apple (Annona squamosa L.): A Preliminary Multidimensional Approach for the Development of Nutraceuticals

Annona squamosa L., commonly known as sugar apple or custard apple, is a well-known medicinal plant recently introduced for cultivation in Saudi Arabia. However, the pharmaceutical potential of the Saudi cultivar remains unexplored. This study aimed to evaluate the phytochemical composition and biological activities of the ethanolic extract of Saudi A. squamosa fruit (EASF) through comprehensive in vitro and in silico analyses. Phytochemical screening revealed a high content of phenolics, flavonoids, and tannins.GC-MS analysis identified 34 bioactive compounds, including fatty acid esters and terpenoids. EASF exhibited strong anti-oxidant activity, particularly in the ABTS assay, and demonstrated significant thrombolytic potential (90.21% ± 0.90%) along with moderate hemolytic activity (14.1% ± 1.01%). Notably, the extract showed effective antibacterial activity against Staphylococcus epidermidis with an inhibition zone of 11 mm at 150 mg/mL. Enzyme inhibition assays revealed potent activity against urease (95.65%), tyrosinase (85.50%), and α-amylase (47.88%). In silico molecular docking supported these findings, with selected phytoconstituents showing strong binding affinities toward the target enzymes. ADMET profiling further confirmed their drug-like properties. These results suggest that the Saudi cultivar of A. squamosa possesses significant therapeutic potential and may serve as a promising candidate for developing nutraceuticals and pharmaceutical agents.