基于数据挖掘,网络药理学和对接分析,探索沙特阿拉伯植物对的多基因调节分子机制
Faez Falah Alshehri1, Fuad M Alzahrani2, Abdulaziz Alkhoshaiban3
1Department of Medical Laboratories, College of Applied Medical Sciences, Ad Dawadimi 17464, Shaqra University, Saudi Arabia.
概括
本研究使用网络药理学和生物信息学探索沙特阿拉伯植物用于治疗. 像阿布雷克托林和基尼斯这样的关键化合物通过向TNF和TP53蛋白来治疗,显示出潜在的潜力.
科学领域:
- 药理学和生物信息学 药理学和生物信息学
- 传统医学和药物发现
- 神经系统疾病 研究 研究 研究
背景情况:
- 影响了沙特阿拉伯的许多人,超过75%未经治疗,需要新的治疗策略.
- 当地植物为开发更有效,更安全的抗治疗提供了潜在的来源.
- 了解传统疗法的分子机制对于现代药物开发至关重要.
研究的目的:
- 通过网络药理学和生物信息学研究沙特阿拉伯植物的潜在抗机制.
- 确定生物活性化合物及其治疗的分子标.
- 建立一个从当地植物资源开发新的抗药物的基础.
主要方法:
- 收集了关于*Solanum incanum,Abrus precatorius,Withhania somnifera*和*Azadirachta indica*的生物活性成分和相关目标的数据.
- 使用STRING和Cytoscape识别枢纽基因的构建蛋白质-蛋白质相互作用 (PPI) 网络.
- 开发了复合目标和复合目标路径网络,随后进行了分子对接模拟.
主要成果:
- 确定了特定的化合物 (例如,阿布雷克托林,基尼斯, (+) - 甲基) 作为的潜在对手.
- 突出显示TNF和TP53作为已识别化合物的关键标蛋白.
- 分子对接证实了预测化合物的强大的结合亲和力和稳定性.
结论:
- 这项研究为在治疗中使用沙特阿拉伯植物提供了理论和实验基础.
- 已识别的化合物显示出开发新型抗药物的前景.
- 网络药理学和生物信息学提供了从传统药物中发现药物的战略方法.
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