计算机模拟方法用于识别来自visfatin的血管性
Ji Myung Choi1,2, Srimai Vuppala3, Min Jung Park1,4
1Lab-to-Medi CRO Inc., Seoul, Republic of Korea.
PloS one
|June 29, 2023
概括
研究人员开发了基于visfatin的新型.
科学领域:
- 生物化学和分子生物学
- 细胞生物学 细胞生物学
- 生物信息学是一种生物信息学.
背景情况:
- 血管新生对于正常的生理过程至关重要,例如组织修复.
- 维斯法是一种阿迪波金,通过刺激VEGF促进血管生成.
- 全长维斯法因其高分子量而面临治疗挑战.
研究的目的:
- 根据visfatin的活性部位设计和开发具有增强血管新生活性的小.
- 为了克服使用全长视法用于治疗应用的局限性.
主要方法:
- 将维斯法的活性部位切割成小.
- 分子对接 (HADDOCK,GalaxyPepDock) 用于识别高亲和度.
- 分子动力学模拟以评估复杂的稳定性.
- 在实验室测试 (细胞迁移,入侵,小管形成) 使用HUVECs.
主要成果:
- 从114个被截断的候选人中识别了9个高 afinity .
- 发现了两个具有最高亲和力的 (LEYKLHDFGY和EYKLHDFGYRGV).
- 这些体在体外表现出较高的血管新生活性,相比于visfatin.
- 可以刺激维斯法丁和VEGF-A的mRNA表达.
结论:
- 计算机模拟技术成功产生了强大的血管性.
- 这些新型提供了一个有前途的治疗替代品,以全长的visfatin.
- 开发的体在促进血管生成方面表现出更强的疗效.
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