DESIGN OF HER2-SPECIFIC VIRUS-LIKE PARTICLES FOR IMAGE-GUIDED DRUG DELIVERY
Aiming to design retargeted HER2-specific virus-like particles we firstly performed molecular docking between the selected single chain variable fragment (scFv) from Trastuzumab and gp41 (envelope glycoprotein from HIV-1) using the HADDOCK webserver. From the 200 scFv-gp41 complexes obtained, we determined the minimum distance between the N-terminal of scFv and the C-terminal of gp41 and built the new fusion protein (Glu14 of viral protein→ Ser241 of scFv). The stability of this protein was assessed by molecular dynamics (MD) simulation. Based on the in silico analysis, we started with the experimental preparation of the HER2-specific virus-like particles. The vector encoding the fusion protein was prepared by molecular cloning techniques and will be used for generating HIV-1-based replication-defective VLPs.
Contact Person: João Correia, Rita Melo
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Melo, R. et al. (2016) A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces, International Journal of Molecular Sciences, 17, E1215, doi:10.3390/ijms17081215.