Quercetin as an Anticancer Candidate for Glioblastoma Multiforme by Targeting AKT1, MMP9, ABCB1, and VEGFA: An in silico Study

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Muhammad H. Widyananda, Setyaki K. Pratama, Arif N.M. Ansori, Yulanda Antonius, Viol D. Kharisma, Ahmad A.A. Murtadlo, Vikash Jakhmola, Maksim Rebezov, Mars Khayrullin, Marina Derkho, Md. Emdad Ullah, Raden J.K. Susilo, Suhailah Hayaza, Alexander P. Nugraha, Annise Proboningrat, Amaq Fadholly, Mada T. Sibero, Rahadian Zainul

2023 Karbala International Journal of Modern Science Vol. 9 Issue 3 Article Cited by 28 Quartile

Abstract

Quercetin, a natural compound present in various fruits and vegetables, shows promise as a potential inhibitor for glioblastoma multiforme (GBM) development. This study aims to examine the anti-GBM potential of Quercetin. The protein target of Quercetin is identified and analyzed using databases such as NCBI, SEA, CTD, and STRING. Proteineprotein interaction (PPI) and functional annotation are carried out based on the obtained target proteins. Molecular docking and dynamics simulations are employed using AutoDock Vina and WebGro tools to analyze the interaction between Quercetin and its target proteins. The prediction of protein targets reveals that Quercetin directly targets four proteins associated with GBM. In conclusion, Quercetin demonstrates potential as an anti-GBM agent, specifically by targeting AKT1, MMP9, ABCB1, and VEGFA proteins. © 2023 University of Kerbala.

Affiliations

Department of Biology, Faculty of Mathematics and Natural Science, Universitas Brawijaya, Indonesia; School of Biological Sciences, Faculty of Biology, Medicine, and Health, The University of Manchester, United Kingdom; Division of Research and Development, CV Jalan Tengah, Pasuruan, Indonesia; Faculty of Veterinary Medicine, Universitas Airlangga, Surabaya, Indonesia; Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, India; Faculty of Science and Technology, Universitas Airlangga, Surabaya, Indonesia; Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia; Department of Biology, Faculty of Biotechnology, Universitas Surabaya, Surabaya, Indonesia; Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, Russian Federation; Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, Russian Federation; Department of Scientific Research, K.G. Razumovsky Moscow State University of Technologies and Management, The First Cossack University, Moscow, Russian Federation; Institute of Veterinary Medicine, South Ural State Agrarian University, Troitsk, Russian Federation; Department of Chemistry, Mississippi State University, MS, United States; Faculty of Advanced Technology and Multidiscipline, Universitas Airlangga, Surabaya, Indonesia; Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia; School of Veterinary Medicine and Biomedical Sciences, IPB University, Bogor, Indonesia; Natural Product Laboratory, Integrated Laboratory for Research and Services, Universitas Diponegoro, Semarang, Indonesia; Institute of Medicinal Biotechnology (IMB), Chinese Academy of Medical Sciences, Peking Union Medical College, Beijing, China; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia; Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, Padang, Indonesia