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In-Silico Design, Evaluation of Flic-Escherichia Coli and Sonic Hedgehog Protein Mediated HER-2 Antibody-Antigen Complex for Breast Cancer Treatment | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X

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Abstract

In-Silico Design, Evaluation of Flic-Escherichia Coli and Sonic Hedgehog Protein Mediated HER-2 Antibody-Antigen Complex for Breast Cancer Treatment

Author(s): Rajaganapathy Kaliyaperuma*, Ramalingam Sathiyasundar, Murugananthan Gopal, Balaji Pandiyan

Especially, HER2 and Sonic Hedge Hog protein (Hh), an over expressed surface receptor on breast cancer cells, is selected for targeted therapy and also selected TLR-5 immunomodulation. Hence, the current study, we employed in silico procedures to design a specific antibody-antigen complex, comprised of HER2/Hh specific Scfv derived from the Herceptin conjugated Hh, as a targeting molecule and bacterial toxin segment obtained from flagellar antigens FliC (E.coli) were conjugated to HER2/Hh specific Scfv via a flexible linker. A 3D model for this chimeric protein was constructed and its structure, stability, solubility and binding to targeted HER2, Hh and TLR-5 were predicted and, then, evaluated, using insilico procedures. Analysis showed that the chimeric protein could be a stable and soluble protein and the secondary structure of its parts would not change and the protein had a robust 3D structure that might have a stable mRNA structure and the PyDock server results showed that this antibody/antigen chimeric protein can bind to our proposed three targets such as HER2 and Hh receptors with high affinity and specificity and also good immunomodulatory binding of TLR-5.


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