通过气相色谱-质谱(GC-MS)分析从天门冬氯仿提取物中获得的潜在生物活性化合物的多受体靶向性:一种基于硅学的方法

Q4 Chemistry
Shaik Harun Rasheed, Sayyad Mustak, Chandan Mohanty, Ravi Kumar Vakkalagadda, Sandip Sen
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引用次数: 0

摘要

以往的报告表明,药用植物及其成分自古以来就被用于治疗各种疾病。尤其是天门冬,它展示了广泛的治疗可能性。本研究旨在强调在消旋芦笋氯仿提取物中发现的潜在生物活性化合物。采用气相色谱法确定了各种分子的存在,而质谱法和傅立叶变换红外分析则验证了其分子结构。通过对这些分子进行分析,评估了其作为候选治疗药物的适宜性、生物活性以及使用硅学技术预测的靶点。氯仿提取物中含有最丰富的碳水化合物和甾体生物碱。其中(5β)-孕甾-3,20β-二醇、14α,18α-[4-甲基-3-氧代-(1-氧杂-4-氮杂丁烷-1,4-二基)]二乙酸酯的含量最高(42.28%)。经鉴定的分子本质上是一种甾体生物碱,计算分析表明所研究的分子具有类似药物的性质和治疗潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Multi Receptor Targeting of Potential Bioactive Compound Obtained from Chloroform Extract of Asparagus racemosus by GC-MS Analysis: A in silico Based Approach
Previous reports indicate that the medicinal plants and their components have been utilized for treating diverse conditions since antiquity. Asparagus racemosus, in particular, demonstrates a broad spectrum of therapeutic possibilities. This study aimed to underscores the potential bioactive compounds found within the chloroform extract of Asparagus racemosus. Gas-chromatography employed to identify the presence of various molecules, while mass spectrometry and FTIR analysis validated their molecular structures. The molecules were analyzed to assess its suitability as a therapeutic candidate, their biological activity and predicted targets using in silico techniques. The chloroform extract stands out as the richest reservoir of carbohydrates and steroidal alkaloids. Molecule (5β)-pregnane-3,20β-diol, 14α,18α-[4-methyl-3-oxo-(1-oxa-4-azabutane-1,4-diyl)]diacetate was found in the highest concentration (42.28 %). The identified molecule is a steroidal alkaloid in nature and the computational analysis revealed promising drug-like properties and therapeutic potential for the investigated molecule.
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来源期刊
Asian Journal of Chemistry
Asian Journal of Chemistry 化学-化学综合
CiteScore
0.80
自引率
0.00%
发文量
229
审稿时长
4 months
期刊介绍: Information not localized
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