B-Helix Scaffold for Small-Molecule Drug Delivery

The ẞ-helix scaffold, a self-assembling protein & trimeric protein with a hydrophobic central channel, was investigated as a versatile nanocarrier for poorly soluble small-molecule therapeutics. Molecular docking and interaction profiling revealed robust binding of Remdesivir, curcumin, and vitamin A deep within the cavity, driven by hydrogen bonds, π-π stacking, and van der Waals forces. Vitamin E occupied the cavity mouth with strong hydrophobic contacts, while vitamin D۳ and thymoquinone showed weaker, surface-level interactions. These findings demonstrate the ẞ-helix's adaptability to structurally diverse ligands, positioning it as a promising universal platform for targeted encapsulation and precision delivery of challenging drugs.

کلیدواژه ها:

ẞ-helical framework ، Drug delivery ، Small Therapeutic molecules ، Molecular docking ، Hydrophobic interaction