A computational peptide model induces cancer cells’ apoptosis by docking Kringle 5 to GRP78
Abstract Background Cells 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 apoptos...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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BMC
2023-08-01
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| Series: | BMC Molecular and Cell Biology |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s12860-023-00484-3 |
| _version_ | 1797555774580326400 |
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| author | Ibrahim Khater Aaya Nassar |
| author_facet | Ibrahim Khater Aaya Nassar |
| author_sort | Ibrahim Khater |
| collection | DOAJ |
| description | Abstract Background Cells 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. Results The 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. Conclusions The 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. |
| first_indexed | 2024-03-10T16:52:28Z |
| format | Article |
| id | doaj.art-ea34d0a4625f4798a49b0f372da382b2 |
| institution | Directory Open Access Journal |
| issn | 2661-8850 |
| language | English |
| last_indexed | 2024-03-10T16:52:28Z |
| publishDate | 2023-08-01 |
| publisher | BMC |
| record_format | Article |
| series | BMC Molecular and Cell Biology |
| spelling | doaj.art-ea34d0a4625f4798a49b0f372da382b22023-11-20T11:16:05ZengBMCBMC Molecular and Cell Biology2661-88502023-08-0124111010.1186/s12860-023-00484-3A computational peptide model induces cancer cells’ apoptosis by docking Kringle 5 to GRP78Ibrahim Khater0Aaya Nassar1Biophysics Department, Faculty of Science, Cairo UniversityBiophysics Department, Faculty of Science, Cairo UniversityAbstract Background Cells 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. Results The 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. Conclusions The 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.https://doi.org/10.1186/s12860-023-00484-3CancerGRP78Kringle 5ApoptosisMolecular docking |
| spellingShingle | Ibrahim Khater Aaya Nassar A computational peptide model induces cancer cells’ apoptosis by docking Kringle 5 to GRP78 BMC Molecular and Cell Biology Cancer GRP78 Kringle 5 Apoptosis Molecular docking |
| title | A computational peptide model induces cancer cells’ apoptosis by docking Kringle 5 to GRP78 |
| title_full | A computational peptide model induces cancer cells’ apoptosis by docking Kringle 5 to GRP78 |
| title_fullStr | A computational peptide model induces cancer cells’ apoptosis by docking Kringle 5 to GRP78 |
| title_full_unstemmed | A computational peptide model induces cancer cells’ apoptosis by docking Kringle 5 to GRP78 |
| title_short | A computational peptide model induces cancer cells’ apoptosis by docking Kringle 5 to GRP78 |
| title_sort | computational peptide model induces cancer cells apoptosis by docking kringle 5 to grp78 |
| topic | Cancer GRP78 Kringle 5 Apoptosis Molecular docking |
| url | https://doi.org/10.1186/s12860-023-00484-3 |
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