Exploring antioxidative, cytotoxic and neuropharmacological insights into Bixa orellana leaves: Experimental and in silico approaches

Kishore Kumar Sarkar; Trina Mitra; Md Aktaruzzaman; Md Ahsan Abid; Md Asibur Rahman; Pradip Debnath; Samir Kumar Sadhu

doi:10.1016/j.heliyon.2024.e27001

Exploring antioxidative, cytotoxic and neuropharmacological insights into Bixa orellana leaves: Experimental and in silico approaches

Heliyon. 2024 Feb 28;10(5):e27001. doi: 10.1016/j.heliyon.2024.e27001. eCollection 2024 Mar 15.

Authors

Kishore Kumar Sarkar¹, Trina Mitra¹, Md Aktaruzzaman¹, Md Ahsan Abid¹, Md Asibur Rahman¹, Pradip Debnath², Samir Kumar Sadhu³

Affiliations

¹ Department of Pharmacy, Jashore University of Science and Technology, Jashore, 7408, Bangladesh.
² Department of Pharmacy, Comilla University, Cumilla, Bangladesh.
³ Pharmacy Discipline, Life Science School, Khulna University, Khulna, 9208, Bangladesh.

Abstract

Background study: The aim of this research was to examine possible antioxidant, cytotoxic and neurological activity of methanol and n-hexane extracts of Bixa orellana leaves. Additionally, we aimed to identify potential lead compounds through in-silico analysis.

Methods: In-vitro antioxidative properties were investigated through different assays, including: total phenolic content assay (TPC), total flavonoid content assay (TFC), DPPH free radical scavenging assay and reducing power assay. Also, the cytotoxic effect of the samples was assessed using the brine shrimp lethality test. In addition, anxiolytic, locomotor, and CNS depressant activities were assessed utilizing various established methods. Moreover, reported compounds were used in the in silico study to explore the best-fit phytoconstituents against gamma-aminobutyric acid (GABA_A) receptor.

Results: MBOL displayed substantial antioxidative activities in various established assays compared to NBOL. In brine shrimp lethality bioassay, both MBOL and NBOL revealed cytotoxic activity in a concentration-dependent approach. Again, in Elevated Plus Maze test, 200 and 400 mg/kg of NBOL and MBOL demonstrated significant anxiolytic activities evident from time spent in open arms. In addition, maximum number of head dipping was demonstrated by MBOL at 400 mg/kg (53.90 ± 1.16) in Hole Board test. NBOL and MBOL at both doses significantly diminished the magnitude of movements from the 2nd to 5th observation periods in Open Field test. Furthermore, in Hole Cross test, MBOL remarkably dwindled the locomotor activity at 120 min and 180 min (3.60 ± 0.40 and 2.40 ± 0.51) at 400 mg/kg. Finally, in silico analysis revealed 13 compounds as promising leads with strong binding affinity to GABA_A receptor along with good pharmacokinetics and toxicity profiles.

Conclusion: Therefore, the present study's findings advocate the traditional usage of this plant and recommend both MBOL and NBOL as as a potential source of therapeutic candidate for the management of neurological disorders.

Keywords: ADMET; Antioxidative; Bixa orellana; Bixaceae; Molecular docking; Neuropharmacological.