Modeling of protein-peptide interactions using HADDOCK web server for cancer therapy

Peptides and proteins have an important role in almost every cellular process in biological systems. Protein−peptide interactions show a prominent part of functionally suitable biological interactions, and so potential therapeutic targets. In particular, peptide-based drug leads for cancer are being explored because of the enormous impact it has on health care in the world and the urgent need for more effective treatments. Small molecules and antibodies were used to target binary system, but they are expensive, non-cell permeable and get undesired effects in their applications. Therefore, peptides are of significant interest in drug design as they can be highly potent and specific for a range of different drug targets. In this study, we discover and determine structural information on derived peptides and vascular endothelial growth factor to design drugs to improve treatment of human diseases, such as cancer by using HADDOCK (High Ambiguity Driven bio molecular DOCKing) online webserver. The results of this study reveal that the rational design and modeling of inhibitors using peptide-binding epitopes derived from protein–peptide complexes shows an alternative approach beside clinical applications.