Identification of bioactive metabolites against adenosine A1 receptor using NMR-based metabolomics
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- 作者：Kashif Ali (1) (4)
Muzamal Iqbal (1)
Nancy Dewi Yuliana (1) (2)
Yeon-Ju Lee (3)
Seungil Park (3)
Saem Han (3)
Jeong-Woo Lee (3)
Hyi-Seung Lee (3)
Robert Verpoorte (1)
Young Hae Choi (1) - 关键词：Marine sponges ; Halisulfates ; Suvanine ; Adenosine A1 receptor binding ; NMR spectroscopy ; Chemometrics
- 刊名：Metabolomics
- 出版年：2013
- 出版时间：August 2013
- 年：2013
- 卷：9
- 期：4
- 页码：778-785
- 全文大小：449KB
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Muzamal Iqbal (1)
Nancy Dewi Yuliana (1) (2)
Yeon-Ju Lee (3)
Seungil Park (3)
Saem Han (3)
Jeong-Woo Lee (3)
Hyi-Seung Lee (3)
Robert Verpoorte (1)
Young Hae Choi (1)
1. Natural Products Laboratory, Institute of Biology, Leiden University, 2300 RA, Leiden, The Netherlands
4. Department of Biosciences, Shaheed Zulfikar Ali Bhutto Institute of Science & Technology (SZABIST), Karachi, 75600, Pakistan
2. Division of Food Chemistry, Department of Food Science and Technology, Bogor Agricultural University, IPB Dramaga Campus, Bogor, 16002, Indonesia
3. Marine Natural Product Chemistry Laboratory, Korea Institute of Ocean Science and Technology, Ansan, 426-744, Republic of Korea - ISSN：1573-3890
文摘
Marine sponges are relatively less explored for their chemical features but highly anticipated resource for bioactive compounds. In this paper we report the screening of marine sponges crude extracts for their potential to bind the adenosine A1 receptor. Many samples showed very promising activity and in order to identify the active components, a metabolomics-chemometrics approach is employed. Nuclear magnetic resonance spectroscopy is used for the metabolic profiling of the marine sponges and partial least squares (PLS) and orthogonal PLS (OPLS) algorithms are used to correlate the metabolomics with bioactivity data. Using several two dimensional-NMR techniques, the resonances responsible for the separation of high activity samples from the medium and low activity samples were identified as associated to metabolites like halisulfate 1, halisulfate 3-, and suvanine (1-), all belongs to sesterterpenes class. The reference compounds for these metabolites are also tested for the activity, which endorse the findings of the applied methodology.