Antibacterial activity and chemical profile of the bioactive compounds from Aloe polyphylla Schönland

Abstract Background The availability of knowledge regarding the ethnomedicinal value and phytochemistry of Aloe polyphylla Schönland has neither been documented nor fully explored. However, this aloe might possess phytocompounds of some medicinal importance. Objective This study aimed to evaluate the antibacterial activity and phytochemical profile of A. polyphylla Schönland gel extract. Methods The gel extract from A. polyphylla Schönland was evaluated for its antibacterial activity and chemical composition using the microdilution method and gas chromatography-mass spectrophotometry (GC-MS), respectively. The molecular interactions of the identified ligands with penicillin‑binding protein 2x (PDP2) were studied by AutoDock Vina to predict the antibacterial mechanisms. Results The extract exhibited antibacterial activity against the selected bacteria with the minimum inhibitory concentration (MIC) values ranging from 0.05 to 0.781 mg/mL. The GC-MS analysis revealed 244 phytoconstituents with 4H-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl (15.66%), 5hydroxymethylfurfural (9.63%), tetradecanoic acid (3.93%), 3-butyl-4-nitro-pent-4-enoic acid, methyl ester (3.51%) and 2',4'-dihydroxy-3'-methylacetophenone (3.26%) as main compounds. The molecular structures of the ligands showed moderate interactions with PBP2, with the docking scores of -5.00, -4.8, -4.3, -5.0 and − 5.1 kcal/mol against 4H-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl, 5-hydroxymethylfurfural, 2',4'-dihydroxy-3'-methylacetophenone, 3-butyl-4-nitro-pent-4-enoic acid, methyl ester and tetradecanoic acid, respectively. Conclusion The gel extract was revealed to have potential pharmacological applicability.