途径2目标:一种基于途径的开源方法,用于重新利用治疗药物,并优先考虑人类目标
Mauri Dobbs Spendlove1, Trenton M Gibson1, Shaney McCain1
1Microbiology and Molecular Biology, Brigham Young University, Provo, UT, United States of America.
PeerJ
|October 4, 2023
概括
一个新的基于R的算法,Pathway2Targets,通过整合路径和目标数据,优先考虑药物标并帮助药物重新使用. 它成功地确定了已知的结肠直肠癌标和新型候选人,证明了其特异性和实用性.
科学领域:
- 计算生物学是一种计算生物学.
- 生物信息学是一种生物信息学.
- 基因组学就是基因组学.
背景情况:
- 药物重定向利用计算方法来确定目标和药物优先级.
- 现有的方法往往在特定疾病的有限数据可用性方面扎.
- 整合蛋白质-蛋白质相互作用网络和信号通路至关重要.
研究的目的:
- 开发和实施一种基于R的开源方法,用于目标优先级和药物重定向.
- 创建一个灵活的算法 (Pathway2Targets),集成各种生物数据.
- 为了使可定制的权重方案用于各种应用程序,如新的目标识别.
主要方法:
- 设计了一个基于R的算法,Pathway2Targets,整合了来自五个公共数据库的规范细胞内信号数据.
- 包括来自公开来源的目标信息,如OpenTargets.org.org.
- 开发了一个可定制的权重方案来优先考虑目标和药物.
主要成果:
- 应用Pathway2Targets对结直肠癌数据集,确定了430个目标和700种药物.
- 排名最高的目标显示显著富含FDA批准的结直肠癌治疗药物 (例如EGFR,VEGFA,PTGS2).
- 优先考虑的新目标包括EGFR,PI3K,MAPK14和MAPK3,证明了该方法的多功能性.
结论:
- 该Pathway2Targets算法准确地优先考虑疾病特异性和新型目标.
- 它的可定制权重方案提高了其适用于药物重新定位和目标识别的适用性.
- 这种开源方法可以通过补充现有方法来改善药物发现和患者的结果.
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