Exploring the bioactive compounds and anticoagulant effects of Bidens pilosa cultivated in yemen through chromatographic and molecular docking approaches

Abstract

Blood coagulation is a rapid and tightly regulated process essential for hemostasis, with disruptions linked to various diseases. This study evaluated the phytochemical composition, total phenolic content (TPC), antioxidant, and anticoagulant activities of Bidens pilosa leaf extract. Chemical constituents were identified using gas chromatography-mass spectroscopy (GC-MS). The TPC was determined spectrophotometrically using the Folin Ciocalteu method. The antioxidant activity of the extract was assessed through the 2.2 – diphenyl −1- picrylhydrazyl (DPPH) free radical scavenging assay. The anticoagulant activity was evaluated via coagulation tests and molecular docking analysis. GC-MS identified methyl palmitate (52.22 %), methyl stearate (29.02 %), and methyl α-linolenate (4.93 %) as major constituents. TPC was 5.94 mg GAE/g, and the extract exhibited strong antioxidant activity (IC₅₀ = 18.2 µg/ml). The extract dose-dependently prolonged clotting time, prothrombin time (PT), and activated partial thromboplastin time (aPTT) in human blood (p < 0.05–0.01). In rabbits, medium doses (50 mg/kg) significantly increased clotting and bleeding times, while higher doses (100 mg/kg) primarily affected bleeding time. Molecular docking confirmed anticoagulant activity, with methyl α-linolenate forming hydrogen bonds with prothrombin. These results highlight B. pilosa's antioxidant and anticoagulant potential, suggesting its therapeutic application in coagulation disorders.