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In Silico Analysis for Determination and Validation of Human CD20 Antigen 3D Structure

  • Zahra Payandeh
  • Masoumeh RajabibazlEmail author
  • Yousef MortazaviEmail author
  • Azam Rahimpour
Article
  • 192 Downloads

Abstract

CD20 has been known as an attractive therapeutic target for refractory diseases such as B-cell chronic lymphocytic leukemia, rheumatoid arthritis and multiple sclerosis. Determining the 3D structure of the CD20 antigen could help to achieve a better deduction of its functions and its interactions with ligands. In this regard, we have launched an in silico protein modeling strategy to unveil the probable 3D structure of CD20 molecule. Various protein modeling approaches including homology modeling, Fold recognition and ab initio method were employed to build a qualified mode Protein BLAST tool from NCBI database was used to find a suitable template and the selected template was fed as input structure of the modeling software. Thereafter, the quality of the obtained models was evaluated invoking the model quality assessment software. CD20 Topology prediction shows that 4 trans membrane helixes. The best model predicted by LOMETS was selected for analyses. Refinement of 3D structure as well as determination of its B-cell epitopes, clefts and ligand binding sites was carried out on the structure. In conclusion, CD20 antigen 3D prediction led to design and production of a new monoclonal antibody.

Keywords

CD20 antigen 3D prediction Bioinformatics 

Notes

Acknowledgements

The authors thank Zanjan University of Medical Sciences and Shahid Beheshti University of Medical Sciences for support to conduct this work.

Compliance with Ethical Standards

Conflict of interest

The Authors declare that they have no conflict of interest.

Ethical Approval

This article does not contain any studies with human participants or animals performed by any of the authors.

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© Springer Science+Business Media, LLC, part of Springer Nature 2017

Authors and Affiliations

  1. 1.Department of Medical Biotechnology and Nanotechnology, Faculty of MedicineZanjan University of Medical SciencesZanjanIran
  2. 2.Department of Clinical Biochemistry, Faculty of MedicineShahid Beheshti University of Medical SciencesTehranIran
  3. 3.School of Advanced Technologies in MedicineShahid Beheshti University of Medical SciencesTehranIran
  4. 4.Cancer Gene Therapy Research Center, Faculty of MedicineZanjan University of Medical SciencesZanjanIran

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