Il24-p20融合蛋白对乳腺癌治疗潜力的研究:一种内模拟方法。

In silico pharmacology Pub Date : 2024-09-18 eCollection Date: 2024-01-01 DOI:10.1007/s40203-024-00252-x
Shahnila Qureshi, Nadeem Ahmed, Hafiz Muhammad Rehman, Muhammad Imran Amirzada, Fiza Saleem, Kainat Waheed, Afeefa Chaudhry, Iram Kafait, Muhammad Akram, Hamid Bashir
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引用次数: 0

摘要

靶向递送治疗性抗癌嵌合分子可提高药物疗效。许多研究都集中在利用细胞因子,尤其是白细胞介素来抑制癌细胞生长,从而开发新的治疗方法。在本研究中,我们通过刚性连接体将白细胞介素 24 与肿瘤靶向肽 P20 融合,从而选择性地靶向癌细胞。我们利用生物信息学工具预测了所构建的嵌合 IL-24-P20 蛋白的二级结构、三级结构和理化特性。体内分析表明,该融合构建体具有基本性质,含有 175 个氨基酸,分子量为 20 kDa。利用 Rampage 和 ERRAT2 服务器对融合蛋白的有效性和质量进行了评估。结果表明,93% 的嵌合蛋白含有 90.1% 的残基位于有利区域,结构可靠。最后,分别通过 ClusPro 和 Desmond Schrödinger 进行了对接和模拟研究。结果表明,所构建的融合蛋白在质量、相互作用能力、有效性和稳定性方面均表现优异。这些研究结果表明,该融合蛋白有望用于癌症靶向治疗。
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Investigation of therapeutic potential of the Il24-p20 fusion protein against breast cancer: an in-silico approach.

Targeted delivery of therapeutic anticancer chimeric molecules enhances drug efficacy. Numerous studies have focused on developing novel treatments by employing cytokines, particularly interleukins, to inhibit the growth of cancer cells. In the present study, we fused interleukin 24 with the tumor-targeting peptide P20 through a rigid linker to selectively target cancer cells. The secondary structure, tertiary structure, and physicochemical characteristics of the constructed chimeric IL-24-P20 protein were predicted by using bioinformatics tools. In-silico analysis revealed that the fusion construct has a basic nature with 175 amino acids and a molecular weight of 20 kDa. By using the Rampage and ERRAT2 servers, the validity and quality of the fusion protein were evaluated. The results indicated that 93% of the chimeric proteins contained 90.1% of the residues in the favoured region, resulting in a reliable structure. Finally, docking and simulation studies were conducted via ClusPro and Desmond Schrödinger, respectively. Our results indicate that the constructed fusion protein exhibits excellent quality, interaction capabilities, validity, and stability. These findings suggest that the fusion protein is a promising candidate for targeted cancer therapy.

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