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从Ficus racemosa中分离,结构特征和新型双黄素的in silico评价
Suman Lata1, Pushpendra Koli1,2, Sultan Singh1
1ICAR-Indian Grassland and Fodder Research Institute, Jhansi, India.
Natural product research
|February 2, 2026
概括
从Ficus racemosa树叶提取物中分离出了两种新型二黄素. 这些化合物显示出生物活性和药物开发的潜力,具有有前途的安全性,可供进一步研究.
科学领域:
- 自然产品化学 自然产品化学
- 植物化学 植物化学
- 药用化学 医学化学
背景情况:
- 双黄酸是一种独特的植物黄酸类,其特点是链接的黄酸单元.
- 树 (Ficus racemosa L.) 是一种因其丰富的植物化学成分而闻名的植物物种.
研究的目的:
- 从Ficus racemosa树叶提取物中分离和鉴定新型双黄素.
- 评估分离化合物的潜在生物活性和药物相似性.
主要方法:
- 包括UV,1H NMR,13C NMR,HMBC和质谱在内的光谱技术被用于结构阐明.
- 奥西里斯物业探索器被用来评估药物评分和预测ADME/毒性概况.
主要成果:
- 确定了两种新的双黄,即 (2R,3R) bis-3-O-烯-7,3'-dimethoxy dihydroquercetin (1) 和 (2S,3S) [7-O-7]-bis 3-O-烯,5-methoxy dihydroquercetin (2) 的两种新型双黄.
- 化合物1和2的药物评分分别为0.38和0.39.
- 预测的ADME和毒性概况表明了进一步研究的有利特征.
结论:
- 来自Ficus racemosa的新型二甲二黄素具有生物应用的有希望的潜力.
- 这些化合物表现出良好的药物相似性和安全性,需要进一步探索作为潜在的COX-1/COX-2抑制剂.
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