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Computational Study for Suppression of Cd25/Il-2 Interaction Publisher Pubmed



Dehbashi M1 ; Hojati Z1 ; Motovalibashi M1 ; Ganjalikhanihakemi M2, 3 ; Shimosaka A4 ; Cho WC5
Authors
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Authors Affiliations
  1. 1. Division of Genetics, Department of Cell and Molecular Biology and Microbiology, Faculty of Biological Science and Technology, University of Isfahan, 81746-73441, Isfahan, Iran
  2. 2. Isfahan University of Medical Sciences, 81746-73461, Department of Immunology, Faculty of Medicine, Isfahan, Iran
  3. 3. Acquired Immunodeficiency Research Center, Isfahan University of Medical Sciences, Isfahan, Iran
  4. 4. School of Oncology, Peking University, Beijing, China
  5. 5. Department of Clinical Oncology, Queen Elizabeth Hospital, Hksar, China

Source: Biological Chemistry Published:2021


Abstract

Cancer recurrence presents a huge challenge in cancer patient management. Immune escape is a key mechanism of cancer progression and metastatic dissemination. CD25 is expressed in regulatory T (Treg) cells including tumor-infiltrating Treg cells (TI-Tregs). These cells specially activate and reinforce immune escape mechanism of cancers. The suppression of CD25/IL-2 interaction would be useful against Treg cells activation and ultimately immune escape of cancer. Here, software, web servers and databases were used, at which in silico designed small interfering RNAs (siRNAs), de novo designed peptides and virtual screened small molecules against CD25 were introduced for the prospect of eliminating cancer immune escape and obtaining successful treatment. We obtained siRNAs with low off-target effects. Further, small molecules based on the binding homology search in ligand and receptor similarity were introduced. Finally, the critical amino acids on CD25 were targeted by a de novo designed peptide with disulfide bond. Hence we introduced computational-based antagonists to lay a foundation for further in vitro and in vivo studies. © 2020 Walter de Gruyter GmbH, Berlin/Boston 2020.
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