HPTLC based quantification of β-sitosterol from the leaves of Nyctanthes arbor-tristis and in-silico prediction of potential drug targeted towards cancer therapy.

IF 2.7 3区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Shruti Shree Pareek, Pratima Vijayvargia, Saroj Kumar Jha, Deepika Khandelwal, Rekha Vijayvergia
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引用次数: 0

Abstract

Nyctanthes arbor-tristis (N. arbor-tristis) is a plant of enormous medicinal importance and each part of the plant retained extensive medicinal properties, such as antimicrobial, antioxidant, anticancer and anti-inflammatory activities, etc. Phytosterols are secondary metabolites of plants that are well-known for their ability to reduce cholesterol, boost immunity and inhibit the formation of cancer cells. In this study, β-sitosterol, which boosts antioxidant enzymes and reduces oxidative stress, was qualitatively and quantitatively identified in the methanolic extract of the plant's leaves using the HPTLC. Our findings show that N. arbor-tristis has a significant concentration of β-sitosterol with the 0.64 Rf value. Further, docking and simulation (in-silico) studies have shown that β-sitosterol has good binding affinity with human DNA Topoisomerase I (h-DNA Topo I) and has the potential to inhibit its activity. It can be reconstructed as h-DNA Topo I determent.Communicated by Ramaswamy H. Sarma.

基于HPTLC的β-谷甾醇含量测定和癌症治疗潜在靶向药物的计算机模拟预测。
三叶木(N.arbor tristis)是一种具有巨大药用价值的植物,植物的每一部分都具有广泛的药用特性,如抗菌、抗氧化、抗癌和抗炎活性等。植物甾醇是植物的次生代谢产物,以其降低胆固醇的能力而闻名,增强免疫力并抑制癌症细胞的形成。在这项研究中,使用HPTLC在植物叶片的甲醇提取物中定性和定量地鉴定了β-谷甾醇,它能增强抗氧化酶并降低氧化应激。我们的研究结果表明,三叶草具有显著的β-谷甾醇浓度,为0.64 Rf值。此外,对接和模拟(计算机)研究表明,β-谷甾醇与人DNA拓扑异构酶I(h-DNA Topo I)具有良好的结合亲和力,并有可能抑制其活性。它可以重建为h-DNA Topo I测定。Ramaswamy H.Sarma通讯。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Biomolecular Structure & Dynamics
Journal of Biomolecular Structure & Dynamics 生物-生化与分子生物学
CiteScore
8.90
自引率
9.10%
发文量
597
审稿时长
2 months
期刊介绍: The Journal of Biomolecular Structure and Dynamics welcomes manuscripts on biological structure, dynamics, interactions and expression. The Journal is one of the leading publications in high end computational science, atomic structural biology, bioinformatics, virtual drug design, genomics and biological networks.
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