Computational avenues in oral protein and peptide therapeutics

Proteins and peptides are amongst the most sought-after biomolecules because of their exceptional potential to cater to a vast range of diseases. Although widely studied and researched, the oral delivery of these biomolecules remains a challenge. Alongside formulation strategies, approaches to overcome the inherent barriers for peptide absorption are being designed at the molecular level to establish a sound rationale and to achieve higher bioavailability.

Highlights

Design of protein therapeutics mandates knowledge of their molecular structure.

Pre- and post-absorptive barriers govern the efficacy of biotherapeutics.

Chemical and formulation modifications facilitate bioavailability enhancement.

Molecular simulations are used to upscale studies of biomolecule interactions.

The predictive in silico approach forms a pre-formulation screening tool in the modern era.

Computer-aided drug design (CADD) is a modern in silico approach for developing successful bio-formulations. CADD enables intricate study of the biomolecules in conjunction with their target sites or receptors at the molecular level. Knowledge of the molecular interactions of proteins and peptides makes way for the pre-screening of suitable formulation components and facilitates their delivery. Continue on Computational avenues in oral protein and peptide therapeutics