Trastuzumab-Peptide interactions: mechanism and application in structure-based ligand design.

ABSTRACT: Understanding of protein-ligand interactions and its influences on protein stability is necessary in the research on all biological processes and correlative applications, for instance, the appropriate affinity ligand design for the purification of bio-drugs. In this study, computational methods were applied to identify binding site interaction details between trastuzumab and its natural receptor. Trastuzumab is an approved antibody used in the treatment of human breast cancer for patients whose tumors overexpress the HER2 (human epidermal growth factor receptor 2) protein. However, rational design of affinity ligands to keep the stability of protein during the binding process is still a challenge. Herein, molecular simulations and quantum mechanics were used on protein-ligand interaction

SUBMITTER: Sun TY 

PROVIDER: S-EPMC3759938 | biostudies-literature | 2013 Aug

REPOSITORIES: biostudies-literature