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提取物中化合物的气相色谱-质谱联用分析及生物活性预测

GC-MS profiling and bioactivity prediction of compounds from extract.

作者信息

Choudhury Pinak Pani Nath, Choudhury Sudip

机构信息

Department of Zoology, S. S. College, Hailakandi, Assam - 788151, India.

Center for Soft Matter, Department of Chemistry, Assam University, Silchar, 788011, India.

出版信息

Bioinformation. 2022 Oct 31;18(10):1009-1015. doi: 10.6026/973206300181009. eCollection 2022.

Abstract

species are vegetable crops, belonging to the family of . For the present study plant samples of were collected from different parts of Barak Valley of Assam, India. Hyphenated technique Gas Chromatography-Mass Spectroscopy (GC-MS) of the chromatographically separated components of the plant extract was performed to identify some of the principles. All the isolated compounds exhibited notable interaction with the enzyme Bone morphogenic protein upon screening. All the compounds were screened for toxicity and then docked with the target enzyme individually. It was found that these compounds are interacting with the target enzyme and is able to inhibit the enzyme activity more efficiently as compared to the reference ligand.

摘要

这些物种是蔬菜作物,属于……科。在本研究中,从印度阿萨姆邦巴拉克山谷的不同地区采集了……的植物样本。对植物提取物经色谱分离的成分进行了联用技术气相色谱 - 质谱分析(GC - MS),以鉴定其中一些成分。在筛选时,所有分离出的化合物均与骨形态发生蛋白酶表现出显著相互作用。对所有化合物进行了毒性筛选,然后分别与目标酶进行对接。结果发现,与参考配体相比,这些化合物与目标酶相互作用,并且能够更有效地抑制酶活性。

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