调节pri/pre-microRNA上/下表达在癌症扩散,血管新生和转移使用精选的强效三烯酸
Anurag Mathur1, Akanksha Singh1, Yusuf Hussain1
1Bioprospection and Product Development Division, CSIR-Central Institute of Medicinal and Aromatic Plants, Lucknow 226015, Uttar Pradesh, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, Uttar Pradesh, India.
International journal of biological macromolecules
|November 11, 2023
概括
三聚胺通过调节微RNAs (miRNAs) 显示出作为抗癌剂的潜力. 普里斯蒂美林显著结合pri-miR-378a,这表明它可以用于预防和治疗癌症.
科学领域:
- 生物化学 生物化学
- 分子生物学分子生物学
- 计算化学计算化学
背景情况:
- 微RNAs (miRNAs) 调节基因表达,并与癌症进展有关.
- 植物化学物质,特别是三类,以其抗癌特性而闻名.
- 了解三类-miRNA相互作用对于开发新型癌症疗法至关重要.
研究的目的:
- 通过使用in silico方法研究三烯酸作为特定癌症相关miRNAs调节者的潜力.
- 为了确定具有有利的药物相似性,毒性和药物动力学特征的三类化合物.
- 探索选择的三类和目标miRNAs之间的分子相互作用.
主要方法:
- 对各种三类药物进行了in silico药物相似性,毒性和药理动力学预测.
- 使用分子对接和模拟技术来评估结合亲和性和稳定性.
- 针对的特定miRNA包括pri-miRNA-19b-2,pre-miR21,miR-20b,pri-miRNA-208a,pri-miRNA-378a,pri-miRNA-320b-2和pri-miRNA-300.这些miRNA的特异性包括在内.
主要成果:
- 几种三类药物表现出类似药物的特性.
- 亚洲酸,卢皮醇和普里斯蒂美林都通过了中毒性评估.
- 普里斯蒂米林与pri-miR-378a显示出强大的结合能 (-10.9 kcal/mol),由分子动力学模拟证实.
结论:
- 普里斯蒂米林是癌症预防和治疗的有希望的候选者,因为它有可能调节致癌的miRNAs.
- In silico方法对于识别具有治疗癌症潜力的植物化学物质是有价值的.
- 进一步的实验验证是有必要的,以证实pristimerin作为miRNA调节器的治疗疗效.
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