Comprehensive In Vitro and In Silico Evaluation of <i>Foeniculum vulgare</i> Seeds: Phytochemicals, Antioxidant Power, Antimicrobial Action, and Anticoagulant Activity

Abstract

ABSTRACT Foeniculum vulgare was investigated for the comparative phytochemical profiles and bioactivities of its aqueous extracts (decoction, E1; Soxhlet, E2) and essential oil (EO), together with in silico exploration of major constituents. Phenolics, flavonoids, and tannins were quantified spectrophotometrically, individual metabolites profiled by HPLC/UV–ESI–MS, and volatile components by GC–MS. Antioxidant capacity (DPPH, FRAP, TAC), antimicrobial activity (MIC/MBC or MFC against 29 bacteria and 8 fungi), and anticoagulant effects (prothrombin time [PT] and activated partial thromboplastin time [aPTT]) were assessed. Molecular docking targeted β‐lactamases (OXA‐10), thrombin, and myeloperoxidase. The decoction (E1) showed the highest phenolic (56.8 mg GAE/g) and flavonoid (22.8 mg QE/g) contents and superior radical‐scavenging activity (DPPH IC 50 = 228.8 µg/mL). The EO was dominated by ( E )‐anethole (79.7%) and fenchone (7.7%). The aqueous extract is rich in phenolic acids and flavonoids (quercetin‐3‐glucuronide 12.13%, chlorogenic acid 10.63%), typifying a caffeoylquinic acid–glucuronidated flavonol chemotype. Antimicrobial testing showed that the aqueous extract stopped Acinetobacter baumannii from growing (MIC = 600 µg/mL) and the EO stopped Candida parapsilosis from growing (MIC = 1200 µg/mL). E1 extended the aPTT to 73.7 s compared to 34.6 s in the control group, indicating disruption of the intrinsic coagulation pathway, whereas PT exhibited minimal alteration. Docking studies revealed that quercetin‐3‐glucuronide demonstrates significant binding affinity to β‐lactamase OXA‐10 (−6.4 kcal/mol) and thrombin (−7.4 kcal/mol), thereby substantiating its proposed roles in antibacterial and anticoagulant activities. In general, F. vulgare aqueous extracts and EO have antioxidant, antimicrobial, and anticoagulant properties that work well together. Phenolic glycosides and ( E )‐anethole are the main ingredients that make this happen. These results bolster translational opportunities for the development of cardiovascular, antimicrobial, and nutraceutical adjuncts, while emphasising the necessity for in vivo validation, bioavailability investigations, and long‐term safety evaluations.