Exploring the chemical space of peptides for drug discovery: a focus on linear and cyclic penta-peptides

摘要: Peptide and peptide-like structures are regaining attention in drug discovery. Previous studies suggest that bioactive peptides have diverse may physicochemical properties attractive to become hit lead compounds. However, chemoinformatic characterize such diversity limited. Herein, we report the property profile chemical space of four synthetic linear cyclic combinatorial peptide libraries. As a case study, analysis was focused on penta-peptides. The N-methylated libraries compared compound data sets pharmaceutical relevance. Results indicated there is major overlap with inhibitors protein-protein interactions macrocyclic natural products available for screening. Also, an between approved clinical use (or trials), other drugs outside traditional space. further support penta-peptides suitable compounds be used discovery projects.