Open access
Jul 2026
Host–guest complexation of progesterone with β-cyclodextrin derivatives: hydration structure, binding thermodynamics, and loading pathways from molecular dynamics simulations
Results show that R2 functionalization strongly modulates both directional selectivity of guest entry and the free-energy landscape of encapsulation in progesterone encapsulation and may guide the rational design of CD-based delivery systems.
Faezeh Mobini, M. Provenzano, Nada Alghamdi et al.
· RSC Advances · 0 citations