Alpha-mangostin as an inhibitor of GSK3β in triple-negative breast cancer

References

• Berg, S., Bergh, M., Hellberg, S., Högdin, K., Lo-Alfredsson, Y., Söderman, P., von Berg, S., Weigelt, T., Ormö, M., Xue, Y., Tucker, J., Neelissen, J., Jerning, E., Nilsson, Y., & Bhat, R. (2012). Discovery of novel potent and highly selective glycogen synthase kinase-3β (GSK3β) inhibitors for Alzheimer's disease: Design, synthesis, and characterization of pyrazines. Journal of Medicinal Chemistry, 55(21), 9107–9119. https://doi.org/10.1021/jm201724m
   PubMed Web of Science ®Google Scholar
• Bianchini, G., Balko, J. M., Mayer, I. A., Sanders, M. E., & Gianni, L. (2016). Triple-negative breast cancer: Challenges and opportunities of a heterogeneous disease. Nature Reviews. Clinical Oncology, 13(11), 674–690.
   PubMed Web of Science ®Google Scholar
• Dey, N., Barwick, B. G., Moreno, C. S., Ordanic-Kodani, M., Chen, Z., Oprea-Ilies, G., Tang, W., Catzavelos, C., Kerstann, K. F., Sledge, G. W., Abramovitz, M., Bouzyk, M., De, P., & Leyland-Jones, B. R. (2013). Wnt signaling in triple negative breast cancer is associated with metastasis. BMC Cancer, 13(1), 537–515. https://doi.org/10.1186/1471-2407-13-537
   PubMedGoogle Scholar
• Essmann, U., Perera, L., Berkowitz, M. L., Darden, T., Lee, H., & Pedersen, L. G. (1995). A smooth particle mesh Ewald method. The Journal of Chemical Physics, 103(19), 8577–8593.
   Web of Science ®Google Scholar
• Kerrigan, J. E. (2013). Molecular dynamics simulations in drug design. In Silico models for drug discovery. Methods Mol Biol., 993, 95–113. https://doi.org/10.1007/978-1-62703-342-8_7
   Google Scholar
• Kritsanawong, S., Innajak, S., Imoto, M., & Watanapokasin, R. (2016). Antiproliferative and apoptosis induction of α-mangostin in T47D breast cancer cells. International Journal of Oncology, 48(5), 2155–2165.
   PubMed Web of Science ®Google Scholar
• Kumari, R., Kumar, R., Consortium, O. S. D. D., & Lynn, A. (2014). g_mmpbsa-a GROMACS tool for high-throughput MM-PBSA calculations . Journal of Chemical Information and Modeling, 54(7), 1951–1962. https://doi.org/10.1021/ci500020m
   PubMed Web of Science ®Google Scholar
• Kurose, H., Shibata, M.-A., Iinuma, M., & Otsuki, Y. (2012). Alterations in cell cycle and induction of apoptotic cell death in breast cancer cells treated with α-mangostin extracted from mangosteen pericarp. Journal of Biomedicine & Biotechnology, 2012, 672428. https://doi.org/10.1155/2012/672428
   PubMedGoogle Scholar
• Lehmann, B. D., Bauer, J. A., Chen, X., Sanders, M. E., Chakravarthy, A. B., Shyr, Y., & Pietenpol, J. A. (2011). Identification of human triple-negative breast cancer subtypes and preclinical models for selection of targeted therapies. The Journal of Clinical Investigation, 121(7), 2750–2767.
   PubMed Web of Science ®Google Scholar
• Lybrand, D. B., Naiman, M., Laumann, J. M., Boardman, M., Petshow, S., Hansen, K., Scott, G., & Wehrli, M. (2019). Destruction complex dynamics: Wnt/β-catenin signaling alters Axin-GSK3β interactions in vivo. Development, 146(13), dev164145. https://doi.org/10.1242/dev.164145
   PubMed Web of Science ®Google Scholar
• Mark, P., & Nilsson, L. (2001). Structure and dynamics of the TIP3P, SPC, and SPC/E water models at 298 K. The Journal of Physical Chemistry A, 105(43), 9954–9960. https://doi.org/10.1021/jp003020w
   Web of Science ®Google Scholar
• Metzger-Filho, O., Tutt, A., de Azambuja, E., Saini, K. S., Viale, G., Loi, S., Bradbury, I., Bliss, J. M., Azim, H. A., Ellis, P., Di Leo, A., Baselga, J., Sotiriou, C., & Piccart-Gebhart, M. (2012). Dissecting the heterogeneity of triple-negative breast cancer. Journal of Clinical Oncology : Official Journal of the American Society of Clinical Oncology, 30(15), 1879–1887. https://doi.org/10.1200/JCO.2011.38.2010
   PubMedGoogle Scholar
• Muchtaridi, M., & Wijaya, C. A. (2017). Anticancer potential of α-mangostin. Asian Journal of Pharmaceutical and Clinical Research, 10(12), 440. https://doi.org/10.22159/ajpcr.2017.v10i12.20812
   Google Scholar
• Mukesh, B., & Rakesh, K. (2011). Molecular docking: A review. International Journal of Research in Ayurveda and Pharmacy, 2(6), 1746–1751.
   Google Scholar
• Nedeljković, M., & Damjanović, A. (2019). Mechanisms of chemotherapy resistance in triple-negative breast cancer—how we can rise to the challenge. Cells, 8(9), 957. https://doi.org/10.3390/cells8090957
   PubMed Web of Science ®Google Scholar
• Pitaloka, D. A. E., Damayanti, S., Artarini, A. A., & Sukandar, E. Y. (2019). Molecular docking, dynamics simulation, and scanning electron microscopy (SEM) Examination of Clinically Isolated Mycobacterium tuberculosis by Ursolic Acid: A pentacyclic triterpenes. Indonesian Journal of Chemistry, 19(2), 328–336. https://doi.org/10.22146/ijc.33731
   Web of Science ®Google Scholar
• Rizaldy, D., Hartati, R., Nadhifa, T., & Fidrianny, I. (2021). Chemical compounds and pharmacological activities of mangosteen (Garcinia mangostana L.)-updated review. Biointerface Research in Applied Chemistry, 12(2), 2503–2516.
   Web of Science ®Google Scholar
• Saha, A., Chattopadhyay, S., Azam, M., & Sur, P. K. (2012). Clinical outcome and pattern of recurrence in patients with triple negative breast cancer as compared with non-triple negative breast cancer group. Clinical Cancer Investigation Journal, 1(4), 201. https://doi.org/10.4103/2278-0513.106256
   Google Scholar
• Schmadeka, R., Harmon, B. E., & Singh, M. (2014). Triple-negative breast carcinoma: Current and emerging concepts. American Journal of Clinical Pathology, 141(4), 462–477.
   PubMed Web of Science ®Google Scholar
• Scolamiero, G., Pazzini, C., Bonafè, F., Guarnieri, C., & Muscari, C. (2018). Effects of α-mangostin on viability, growth and cohesion of multicellular spheroids derived from human breast cancer cell lines. International Journal of Medical Sciences, 15(1), 23–30.
   PubMed Web of Science ®Google Scholar
• Serina, J. J. C. (2013). Enzymatic inhibitory activity of hydroxycinnamates (HCs): In silico studies [Doctoral dissertation]. Universidade da Madeira.
   Google Scholar
• Vijay, G. V., Zhao, N., Den Hollander, P., Toneff, M. J., Joseph, R., Pietila, M., Taube, J. H., Sarkar, T. R., Ramirez-Pena, E., Werden, S. J., Shariati, M., Gao, R., Sobieski, M., Stephan, C. C., Sphyris, N., Miura, N., Davies, P., Chang, J. T., Soundararajan, R., Rosen, J. M., & Mani, S. A. (2019, March 7). GSK3β regulates epithelial-mesenchymal transition and cancer stem cell properties in triple-negative breast cancer. Breast Cancer Research : BCR, 21(1), 37. https://doi.org/10.1186/s13058-019-1125-0 PMID: 30845991; PMCID: PMC6407242.
   PubMedGoogle Scholar
• Xu, J., Prosperi, J. R., Choudhury, N., Olopade, O. I., & Goss, K. H. (2015). β-Catenin is required for the tumorigenic behavior of triple-negative breast cancer cells. PloS One, 10(2), e0117097.
   PubMed Web of Science ®Google Scholar
• Yao, H., He, G., Yan, S., Chen, C., Song, L., Rosol, T. J., & Deng, X. (2017). Triple-negative breast cancer: Is there a treatment on the horizon? Oncotarget, 8(1), 1913–1924. https://doi.org/10.18632/oncotarget.12284
   PubMedGoogle Scholar
• Yoo, J.-H., Kang, K., Jho, E. H., Chin, Y.-W., Kim, J., & Nho, C. W. (2011). α-and γ-Mangostin inhibit the proliferation of colon cancer cells via β-catenin gene regulation in Wnt/cGMP signalling. Food Chemistry, 129(4), 1559–1566. https://doi.org/10.1016/j.foodchem.2011.06.007
   Web of Science ®Google Scholar
• Zhao, G.-J., & Cheng, C.-L. (2012). Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein. Amino Acids, 43(2), 557–565.
   PubMed Web of Science ®Google Scholar