Phytochemistry, Therapeutic Potential and Computational Analysis of <i>Cucumis melo</i> L. Compounds Against <i>Mycoplasma pneumoniae</i> Protein

Cucumis melo L., inevitably known as cantaloupe or muskmelon, is widely cultivated around globe and consumed in many tropical nations. Although C. melo is well known for its anti‐inflammatory, antibacterial and other therapeutic properties, yet plant metabolites have not been investigated fully. The present study was designed to evaluate the phytochemical composition, metabolite profiling, radical scavenging (antioxidative), anti‐hyperglycaemic and anti‐inflammatory potential of Cucumis melo (var. agrestis) whole fruit. The antioxidative capacity was determined using radical scavenging (DPPH) and ABTS+ reducing power assays. Molecular docking tools, such as AutoDock Vina, PyMOL and Discovery studio, were employed to study plant‐based ligand interactions with target protein 6RJ1. Gas chromatography–mass spectrometry (GC–MS) of ethanol and chloroform extracts of C. melo L subsp. Agrestis fruit revealed the presence of 65 and 67 compounds, respectively, using GC–MS. Total phenolic contents (TPC) (96.41 + 0.013 mg/g GAE/g) and total flavonoid contents (TFC) (81.39 + 0.017 mg/gGAE/g) were substantially higher in ethanol than other fractions employed. Radical scavenging activity (%) was reported maximum in ethanol (71 + 0.035–72 + 0.035) and chloroform (70 + 0.003 to 72 + 0.006) fractions at varying concentration. ABTS (%) assay revealed peak inhibition activity in ethanol extract (60 + 0.035 to 85 + 0.041). Anti‐hyperglycaemic (% inhibition α‐amylase) (74 + 0.004 to 82 + 0.0041) and anti‐inflammatory (% inhibition) (72 + 0.04 to 95 + 0.011) activities were reported maximum in chloroform fraction. Additionally, anti‐inflammatory (98 + 0.001) and anti‐hyperglycaemic (82 + 0.021 to 92 + 0.003) were substantially spiked in aqueous fraction as well. Computational analysis results unveiled that selected bioactive compounds such as butylated hydroxy toluene, farnesol and piperine revealed strong binding affinity with 6RJ1 protein in Mycoplasma pneumoniae. This study provides rationale for this plant’s use as a source of beneficial phytochemicals entailing antioxidants that may lead to the development of biosafe anti‐inflammatory and other medications for human health.