Bioactive Phytochemicals of Carissa macrocarpa: In Vitro and in Silico Investigations: Carissa macrocarpa: In Vitro and in Silico Investigations

Tehreem Irfan; Juwairia Adeel; Laiba Arshad; Duaa Qaiser; Tahir Mehmood

doi:10.54393/fbt.v5i4.209

Authors

Tehreem Irfan Institute of Microbiology and Molecular Genetics, University of the Punjab, Lahore Pakistan
Juwairia Adeel Institute of Microbiology and Molecular Genetics, University of the Punjab, Lahore Pakistan
Laiba Arshad Institute of Microbiology and Molecular Genetics, University of the Punjab, Lahore Pakistan
Duaa Qaiser Institute of Microbiology and Molecular Genetics, University of the Punjab, Lahore Pakistan
Tahir Mehmood Institute of Microbiology and Molecular Genetics, University of the Punjab, Lahore, Pakistan

DOI:

https://doi.org/10.54393/fbt.v5i4.209

Keywords:

Carissa macrocarpa, Phytochemicals, Antibacterial Activity, Molecular Docking, HPLC Analysis, Ripened and Unripened Fruits, DPPH Assay, DPP-4 and EGFR Binding

Abstract

Carissa macrocarpa (Natal plum) is a tropical plant that is highly bioactive in nature. Objectives: To examine its phytochemical makeup and biological actions, and evaluate the impacts of the type of solvent and the level of fruit ripening. Methods: Ethanol and methanol were used in the extraction of ripening and unripe fruits. Extracts were evaluated for phytochemical constituents, antioxidant capacity (DPPH assay), antibacterial potential (disc diffusion and MIC), and phenolic profiling (HPLC). The identified compounds were further analyzed using molecular docking to predict anti-diabetic (DPP-4) and anti-cancer (EGFR) interactions. Results: Methanolic extracts, particularly from unripe fruits, showed higher yields and stronger antioxidant and antibacterial activities. Phytochemical screening confirmed the presence of flavonoids, terpenoids, saponins, and glycosides. HPLC revealed gallic acid and myricetin as dominant compounds. Docking studies suggest that these compounds have moderate binding affinities with DPP-4 and EGFR, indicating potential anti-diabetic and anti-cancer properties. Conclusions: The results have selected C. macrocarpa as a potential source of antioxidant and antibacterial agents. Molecular docking gives initial information as to its pharmacological diversity, and additional in vitro and in vivo research is obligatory before clinical use.

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