Gas Chromatography Mass Spectrometry Identification of Antiangiogenic Phytochemicals in Aframomum danielli K. Schum: An In silico Study

Abstract

Aframomum danielli is one of the African spices used in folklore medicine for the management of several diseases. This study identified the phytochemical components present in the n-hexane seed extract of the A. danielli by gas chromatography-mass spectrometry (GC-MS) analysis and also evaluated the antiangiogenic potential of the identified phytochemicals by performing molecular docking against human Vascular Endothelial Growth Factor (VEGF) and matrix metalloproteinases (MMP) using Molegro Virtual Docker. The GC-MS analysis identified the presence of phytochemical components β-Caryophyllene (RT: 18.479), α-Caryophyllene (RT: 19.189), (4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone (RT: 22.976), N-Acetyl-m-aminobenzoic acid (RT: 31.651) and 3-Pyridineacetic acid (RT: 32.446). (4-Hydroxy- 3-methoxyphenyl)ethyl methyl ketone were the strongest binding ligand (-65.744 kcal/mol for VEGF) and (- 99.7836kcal/mol for MMP) while β-Caryophyllene was the weakest binding ligand. These compounds showed relative strong docking to VEGF with docking energies comparable to an anticancer drug, bevacizumab (-77.883kcal/mol for VEGF) and (-109.021kcal/mol for MMP). This in silico molecular docking study has shown that these phytochemical components could be responsible for antiangiogenic properties of A. danielli