Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins
Oscillatoxins (OTXs) are cytotoxins produced by some marine cyanobacteria. Their unique structures show a great potency as an anticancer agent. The limited availability of OTX derivatives in nature provides little information about their biological activity. Some of OTX activities have been tested i...
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| Format: | Article |
| Language: | Russian |
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Russian Academy of Sciences, V.M. Gorbatov Federal Research Center for Food Systems
2023-10-01
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| Series: | Пищевые системы |
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| Online Access: | https://www.fsjour.com/jour/article/view/306 |
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| author | D. Luthfiana M. Soleha A. Prasetiyo W. A. Kusuma R. Fatriani L. Nurfadhila N. Yunitasari A. H. Ahkam T. L. Wargasetia R. Irfandi A. N. M. Ansori V. D. Kharisma S. W. Naw E. Ullah V. Jakhmola R. Zainul |
| author_facet | D. Luthfiana M. Soleha A. Prasetiyo W. A. Kusuma R. Fatriani L. Nurfadhila N. Yunitasari A. H. Ahkam T. L. Wargasetia R. Irfandi A. N. M. Ansori V. D. Kharisma S. W. Naw E. Ullah V. Jakhmola R. Zainul |
| author_sort | D. Luthfiana |
| collection | DOAJ |
| description | Oscillatoxins (OTXs) are cytotoxins produced by some marine cyanobacteria. Their unique structures show a great potency as an anticancer agent. The limited availability of OTX derivatives in nature provides little information about their biological activity. Some of OTX activities have been tested in the in vitro or in vivo studies toward cancer cell lines, but their exact mechanism of action on the target is unclear. In this study, we used the network pharmacology analysis method to predict the target and mechanism of action of oscillatoxin D (OTX-D), 30 methyl oscillatoxin D (30-methyl-OTX-D), oscillatoxin E (OTX-E), and oscillatoxin F (OTX-F). There are 20 possible targets of the four compounds toward cancer, and the main targets of them are PIK3CA, CDK1, and MTOR. This was also followed by the molecular docking study to understand the interaction between the four compounds and their targets. Molecular docking showed that the four compounds interacted well with the key targets. In this study, four derivatives of OTXs and their three key targets for the anticancer action were revealed suggesting multiple signaling pathways, including PD-L1 expression and PD‑1 checkpoint pathway in cancer, proteoglycans in cancer, and pathways in cancer, establishing a theoretical framework for the further experimental study. |
| format | Article |
| id | doaj-art-fe0a7e6e3a8a4eba94aa678428c8e2e0 |
| institution | DOAJ |
| issn | 2618-9771 2618-7272 |
| language | Russian |
| publishDate | 2023-10-01 |
| publisher | Russian Academy of Sciences, V.M. Gorbatov Federal Research Center for Food Systems |
| record_format | Article |
| series | Пищевые системы |
| spelling | doaj-art-fe0a7e6e3a8a4eba94aa678428c8e2e02025-08-20T02:49:25ZrusRussian Academy of Sciences, V.M. Gorbatov Federal Research Center for Food SystemsПищевые системы2618-97712618-72722023-10-016336538910.21323/2618-9771-2023-6-3-365-389204Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxinsD. Luthfiana0M. Soleha1A. Prasetiyo2W. A. Kusuma3R. Fatriani4L. Nurfadhila5N. Yunitasari6A. H. Ahkam7T. L. Wargasetia8R. Irfandi9A. N. M. Ansori10V. D. Kharisma11S. W. Naw12E. Ullah13V. Jakhmola14R. Zainul15Bioinformatics Research Center, Indonesian Institute of Bioinformatics (INBIO)National Research and Innovation AgencyDepartment of Pharmaceutical Science, Faculty of Pharmacy, Pancasila UniversityDepartment of Computer Science, Faculty Mathematics and Natural Sciences, IPB University; Tropical Biopharmaca Research Center, IPB UniversityTropical Biopharmaca Research Center, IPB UniversityDepartment of Pharmacy, Faculty of Health Sciences, Singaperbangsa Karawang UniversityFaculty of Health, University of Muhammadiyah GresikFaculty of Pharmacy, Padjadjaran UniversityFaculty of Medicine, Maranatha Christian UniversityDepartment of Biology Education, Faculty of Teacher Training and Education, Universitas PuangrimaggalatungUttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University; Postgraduate School, Universitas AirlanggaDepartment of Biology, Faculty of Science and Technology, Universitas Airlangga; Division of Molecular Biology and Genetics, Generasi Biologi Indonesia FoundationDepartment of Chemistry, Myitkyina UniversityDepartment of Chemistry, Mississippi State UniversityUttaranchal Institute of Pharmaceutical Sciences, Uttaranchal UniversityDepartment of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri PadangOscillatoxins (OTXs) are cytotoxins produced by some marine cyanobacteria. Their unique structures show a great potency as an anticancer agent. The limited availability of OTX derivatives in nature provides little information about their biological activity. Some of OTX activities have been tested in the in vitro or in vivo studies toward cancer cell lines, but their exact mechanism of action on the target is unclear. In this study, we used the network pharmacology analysis method to predict the target and mechanism of action of oscillatoxin D (OTX-D), 30 methyl oscillatoxin D (30-methyl-OTX-D), oscillatoxin E (OTX-E), and oscillatoxin F (OTX-F). There are 20 possible targets of the four compounds toward cancer, and the main targets of them are PIK3CA, CDK1, and MTOR. This was also followed by the molecular docking study to understand the interaction between the four compounds and their targets. Molecular docking showed that the four compounds interacted well with the key targets. In this study, four derivatives of OTXs and their three key targets for the anticancer action were revealed suggesting multiple signaling pathways, including PD-L1 expression and PD‑1 checkpoint pathway in cancer, proteoglycans in cancer, and pathways in cancer, establishing a theoretical framework for the further experimental study.https://www.fsjour.com/jour/article/view/306mechanism of actionmolecular dockingnetwork pharmacologyoscillatoxins |
| spellingShingle | D. Luthfiana M. Soleha A. Prasetiyo W. A. Kusuma R. Fatriani L. Nurfadhila N. Yunitasari A. H. Ahkam T. L. Wargasetia R. Irfandi A. N. M. Ansori V. D. Kharisma S. W. Naw E. Ullah V. Jakhmola R. Zainul Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins Пищевые системы mechanism of action molecular docking network pharmacology oscillatoxins |
| title | Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins |
| title_full | Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins |
| title_fullStr | Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins |
| title_full_unstemmed | Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins |
| title_short | Network pharmacology and molecular docking study to reveal the potential anticancer activity of Oscillatoxin D, E, and F marine cytotoxins |
| title_sort | network pharmacology and molecular docking study to reveal the potential anticancer activity of oscillatoxin d e and f marine cytotoxins |
| topic | mechanism of action molecular docking network pharmacology oscillatoxins |
| url | https://www.fsjour.com/jour/article/view/306 |
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