Exploring phytochemical and biological profile of Adiantum aleuticum (Western maidenhair fern); an indigenous fern with medicinal potential

Introduction: Adiantum aleuticum (A. aleuticum) belongs to a medicinally important genus Adiantum. Different species of genus Adiantum are traditionally used as anti-diabetic, analgesic, anti-inflammatory, and antifungal remedy. A. aleuticum is scientifically unexplored species of genus Adiantum. The current study aimed to reveal the medicinal potential of A. aleuticum. In addition to preliminary phytochemical investigation, GC–MS analysis and computational studies (In-silico docking and ADME analysis) were also performed. Methods: Different biological activities like enzyme inhibition, antimicrobial (antibacterial and antiviral), anti-inflammatory, and thrombolytic activity were performed by various In-vitro assays. Antioxidant potential was assessed by DPPH and ABTS methods. Results: The findings of phytochemical screening revealed that highest TPC, TFC and TTC were observed in AME (290 ± 1.12 mg G.A Eq./g D.E ± S.D, 424 ± 0.559 mg Q. Eq./g D.E ± S.D, 335 ± 0.48 mg T.A Eq./g D.E ± S.D) respectively. The antioxidant potential was exhibited by AME via DPPH and ABTS (302 ± 0.66, 315 ± 0.52 mg A.A Eq./g D.E ± S.D) respectively. The results of enzyme inhibition activity revealed that AME strongly inhibited α-amylase (73 %) & α-glucosidase (74 %). Significant antiviral and antibacterial activities were shown by AME and its all fractions. AME also exhibited maximum thrombolytic activity (70 ± 0.60 %clot lysis) in comparison to Streptokinase (86 ± 0.9 % clot lysis). The maximum anti-inflammatory activity was observed in AME with %IPD range (40–79 %) for various fractions. GC–MS analysis of AME tentatively identified 37 bioactive phytoconstituents. The In-silico molecular modelling was done for the identified compounds by GC/MS for the evaluation of binding affinity and binding interactions between the ligands and enzyme followed by ADME analysis of selected phytoconstituents with best docking scores. MD simulation was done for Solasonine. Conclusion: Conclusively, A. aleuticum has good antidiabetic, antimicrobial and thrombolytic potential. It can be explored further for other biological activities and may provide basis for the isolation of natural anti-diabetic, anti-inflammatory, thrombolytic, antioxidant and antibacterial compunds with potential for serving as promising leads for drug development.