一种计算肽模型通过将 Kringle 5 对接 GRP78 诱导癌细胞凋亡。
A computational peptide model induces cancer cells' apoptosis by docking Kringle 5 to GRP78.
机构信息
Biophysics Department, Faculty of Science, Cairo University, Giza, Egypt.
Department of Clinical Research and Leadership, School of Medicine and Health Sciences, George Washington University, Washington DC, USA.
出版信息
BMC Mol Cell Biol. 2023 Aug 8;24(1):25. doi: 10.1186/s12860-023-00484-3.
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.
背景
细胞在病理和生理条件下均可通过凋亡过程死亡。癌症的发生和发展可能源于异常凋亡。78kDa 葡萄糖调节蛋白（GRP78）在癌细胞表面增加。细胞凋亡剂kringle 5 与 GRP78 结合诱导癌细胞凋亡。使用 ClusPro 2.0 对接 kringle 5 和 GRP78。研究了 kringle 5 和 GRP78 之间的相互作用。
结果
发现相互作用的氨基酸定位于 kringle 5 的三个区域。所提出的肽由包含 kringle 5 相互作用残基的二级结构氨基酸组成。使用 PEP-FOLD3 网络工具创建肽模型氨基酸的 3D 结构。
结论
所提出的肽完全结合到 kringle 5 的 GRP78 结合位点上，表明它可能有效诱导癌细胞凋亡。
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