Integrating Molecular Networking and 1H NMR Spectroscopy for Isolation of Bioactive Metabolites from the Persian Gulf Sponge Axinella sinoxea
Abstract
:1. Introduction
2. Results
2.1. Bioactivity Profiling
2.2. Molecular Networking-Based Dereplication and 1H NMR Profiling
2.3. Purification and Structure Elucidation
2.4. Bioactivity of Compounds 1–8
3. Discussion
4. Materials and Methods
4.1. General Experimental Procedures
4.2. Sponge Material
4.3. Extraction and Isolation
4.4. UPLC-QToF-MS/MS Analysis
4.5. Molecular Networking
4.6. Bioactivity Assays
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Position | δH, Mult. (J in Hz) | δC, Type |
---|---|---|
1 | - | 167.7 (C) |
3 | 3.72 (dd 12.9, 4.6) 3.42 (m) | 55.1 (CH2) |
4 | 4.47 (m) | 68.8 (CH) |
5 | 2.29 (m) 2.04 (ddd 13.3, 11.7, 4.3) | 38.6 (CH2) |
6 | 4.48 (m) | 58.3 (CH) |
7 | - | 172.7 (C) |
9 | 4.13 (br s) | 61.2 (CH) |
10 | 2.18 (m) | 36.9 (CH) |
11 | 1.46 (m) 1.33 (m) | 25.4 (CH2) |
12 | 0.94 (t 7.4) | 12.5 (CH3) |
13 | 1.08 (d 7.3) | 15.4 (CH3) |
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Mohsenian Kouchaksaraee, R.; Moridi Farimani, M.; Li, F.; Nazemi, M.; Tasdemir, D. Integrating Molecular Networking and 1H NMR Spectroscopy for Isolation of Bioactive Metabolites from the Persian Gulf Sponge Axinella sinoxea. Mar. Drugs 2020, 18, 366. https://doi.org/10.3390/md18070366
Mohsenian Kouchaksaraee R, Moridi Farimani M, Li F, Nazemi M, Tasdemir D. Integrating Molecular Networking and 1H NMR Spectroscopy for Isolation of Bioactive Metabolites from the Persian Gulf Sponge Axinella sinoxea. Marine Drugs. 2020; 18(7):366. https://doi.org/10.3390/md18070366
Chicago/Turabian StyleMohsenian Kouchaksaraee, Reza, Mahdi Moridi Farimani, Fengjie Li, Melika Nazemi, and Deniz Tasdemir. 2020. "Integrating Molecular Networking and 1H NMR Spectroscopy for Isolation of Bioactive Metabolites from the Persian Gulf Sponge Axinella sinoxea" Marine Drugs 18, no. 7: 366. https://doi.org/10.3390/md18070366