PeptiMOL | PeptiKinetics

Despite their potential applicability to various conditions and diseases, therapeutic peptides face significant practical challenges, including low stability and a brief half-life. The PeptiMOL project, funded by the European Union (Marie Skłodowska-Curie Individual Fellowships, GA No 893810), aimed to address these challenges through the development of mathematical models and computational tools predicting the pharmacokinetic behavior of peptides.
Using specific peptide descriptors with our software PeptiDesCalculator (https://onlinelibrary.wiley.com/doi/abs/10.1002/prot.26003), we built different QSAR models to predict parameters such as aqueous solubility, plasmatic half-life, blood-brain barrier penetration, hemolytic activity or Caco2. These models were then integrated into a standalone software called PeptiKinetics (available upon request at info@moldrug.com) and are expected to be accessible on a web server soon within the ChemoPredictionSuite platform.
These tools are designed to assist scientists in virtually screening or designing peptides based on desirable physicochemical characteristics and bioactivity. With this purpose, these models contribute to introducing alternative methods of peptide administration, aiming to replace the current necessity for multiple daily injections in the treatment of numerous conditions.