Unlocking the potential of ovalene: A dual-purpose sensor and drug enhancer

•Ovalene surface is a good competitor for drug discovery.•HMF and their complexes considerably mark the stability with solvent effect.•The surface of Ovalene helps in drug delivery and shows high binding affinity.•A uniform distribution of electron density over the geometry of the complex system shows a confirmation of a chemical enhancement.•Ovalene shows more stability on the side than on the top surface.