Phytochemical Profiling and Bioactivity of <i>Leucosceptrum Canum</i> Extracts from the Uttarakhand Himalayas: Nematicidal and Acetylcholinesterase Inhibitory Potential

Abstract This study includes a comparative investigation to analyze the phytochemical composition, nematicidal efficacy, in vitro AChE inhibitory activity, and molecular docking study of Leucosceptrum canum . (LC) extracts. Various polarity solvent extracts including hexane (LCHE), dichloromethane (LCDE), and methanol (LCME) were prepared from LC aerial parts using Soxhlet extraction. Phytochemical analysis was done using GC‐MS technique to identify and quantify the presence of bioactive compounds revealing that LCHE is abundant in fatty acids (43.85%) and triterpenoid (24.18%) compounds. LCDE, on the other hand, is characterized by a predominance of flavones and flavonoids (53.75%), while LCME is rich in phenols and phenolic compounds (34.83%). Nematicidal efficacy was evaluated against root knot nematode in terms of egg hatchability inhibition and mortality assay. LCDE exhibited significant nematicidal activity, with 74.67% mortality at 1000 µg/mL after 96 h of exposure. LCHE and LCDE showed maximum egg hatching inhibition of 78.94% at 1000 µg/mL after 96 h. The in vitro assay was conducted to assess acetylcholinesterase inhibition activity revealing that LCDE exhibited the most potent inhibition (IC 50 = 26.08 µg/mL), followed by LCHE (IC 50 = 38.85 ± 0.85 µg/mL) and LCME (IC 50 = 54.66 ±1.03 µg/mL). Molecular docking revealed binding interactions between the bioactive compounds identified in LC extracts and the catalytic domain of AChE.