A computational peptide model induces cancer cells’ apoptosis by docking Kringle 5 to GRP78

BMC Molecular and Cell Biology

Research

Ibrahim Khater¹  Aaya Nassar² 

[1]Biophysics Department, Faculty of Science, Cairo University, Giza, Egypt

[2]Biophysics Department, Faculty of Science, Cairo University, Giza, Egypt

[3]Department of Clinical Research and Leadership, School of Medicine and Health Sciences, George Washington University, Washington DC, USA

关键词: Cancer;    GRP78;    Kringle 5;    Apoptosis;    Molecular docking;   

DOI  :  10.1186/s12860-023-00484-3

 received in 2023-03-08, accepted in 2023-06-23,  发布年份 2023

来源: Springer

【 摘 要 】

BackgroundCells can die through a process called apoptosis in both pathological and healthy conditions. Cancer development and progression may result from abnormal apoptosis. The 78-kDa glucose-regulated protein (GRP78) is increased on the surface of cancer cells. Kringle 5, a cell apoptosis agent, is bound to GRP78 to induce cancer cell apoptosis. Kringle 5 was docked to GRP78 using ClusPro 2.0. The interaction between Kringle 5 and GRP78 was investigated.ResultsThe interacting amino acids were found to be localized in three areas of Kringle 5. The proposed peptide is made up of secondary structure amino acids that contain Kringle 5 interaction residues. The 3D structure of the peptide model amino acids was created using the PEP-FOLD3 web tool.ConclusionsThe proposed peptide completely binds to the GRP78 binding site on the Kringle 5, signaling that it might be effective in the apoptosis of cancer cells.

【 授权许可】

CC BY   
© BioMed Central Ltd., part of Springer Nature 2023

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