Dewi Luthfiana, Maratu Soleha, Andri Prasetiyo, Wisnu A. Kusuma, Rizka Fatriani, Lina Nurfadhila, Norainny Yunitasari, Ahmad H. Ahkam, Teresa L. Wargasetia, Rizal Irfandi, Arif N. M. Ansori, Viol D. Kharisma, Sin W. Naw, Emdad Ullah, Vikash Jakhmola, Rahadian Zainul
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 suggest-ing 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. © Luthfiana D., Soleha M., Prasetiyo A., Kusuma W. A., Fatriani R., Nurfadhila L., Yunitasari N., Ahkam A. H., Wargasetia T. L., Irfandi R., Ansori A. N. M., Kharisma V. D., Naw S. W., Ullah E., Jakhmola V., Zainul R., 2023.
Bioinformatics Research Center, Indonesian Institute of Bioinformatics (INBIO), Malang, Indonesia; National Research and Innovation Agency, Banten, Indonesia; Department of Pharmaceutical Science, Faculty of Pharmacy, Pancasila University, South Jakarta, Indonesia; Department of Computer Science, Faculty Mathematics and Natural Sciences, IPB University, Bogor, Indonesia; Tropical Biopharmaca Research Center, IPB University, Bogor, Indonesia; Department of Pharmacy, Faculty of Health Sciences, Singaperbangsa Karawang University, Karawang, Indonesia; Faculty of Health, University of Muhammadiyah Gresik, Gresik, Indonesia; Faculty of Pharmacy, Padjadjaran University, Sumedang, Indonesia; Faculty of Medicine, Maranatha Christian University, Bandung, Indonesia; Department of Biology Education, Faculty of Teacher Training and Education, Universitas Puangrimaggalatung, Sengkang, Indonesia; Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, India; Postgraduate School, Universitas Airlangga, Surabaya, Indonesia; Department of Biology, Faculty of Science and Technology, Universitas Airlangga, Surabaya, Indonesia; Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia; Department of Chemistry, Myitkyina University, Myitkyina, Myanmar; Department of Chemistry, Mississippi State University, MS, United States; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia
