The need for statistical physics in Africa: Perspective and an illustration in drug delivery problems

Abstract

Abstract The development of statistical physics in Africa is in its nascent stages, yet its application holds immense promise for advancing emerging research trends on the continent. This perspective paper, a product of a two-week workshop on biophysics in Morogoro (Tanzania), aims to illuminate the potential of statistical physics in regional scientific research. We employ in-silico atomistic molecular-dynamics simulations to investigate the loading and delivery capabilities of lecithin nanolipids for niclosamide, a poorly water-soluble drug. Our simulations reveal that the loading capacity and interaction strength between lecithin nanolipids and niclosamide improve with increased lecithin concentrations. We perform a free-energy landscape analysis which uncovers two distinct metastable conformations of niclosamide within both the aqueous phase and the lecithin nanolipids. Over a simulation period of half a microsecond, lecithin nanolipids self-assemble into a spherical monolayer structure, providing detailed atomic-level insights into their interactions with niclosamide. These findings underscore the potential of lecithin nanolipids as efficient drug delivery systems.