Quercetin as an anticancer candidate for glioblastoma multiforme by targeting AKT1, MMP9, ABCB1, and VEGFA: An in silico study

Muhammad Hermawan Widyananda, Department of Biology, Faculty of Mathematics and Natural Science, Universitas Brawijaya, Indonesia.
Setyaki Kevin Pratama, School of Biological Sciences, Faculty of Biology, Medicine, and Health, The University of Manchester, United Kingdom.
Arif Nur Muhammad Ansori, Faculty of Science and Technology, Universitas Airlangga, Surabaya, IndonesiaFollow
Yulanda Antonius, Department of Biology, Faculty of Biotechnology, Universitas Surabaya, Surabaya, Indonesia.
Viol Dhea Kharisma, Faculty of Science and Technology, Universitas Airlangga, Surabaya, Indonesia
Ahmad Affan Ali Murtadlo, Division of Research and Development, CV Jalan Tengah, Pasuruan, Indonesia
Vikash Jakhmola, Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, India
Maksim Rebezov, Department of Scientific Research, V. M. Gorbatov Federal Research Center for Food Systems, Moscow, Russian Federation
Mars Khayrullin, Department of Scientific Research, K.G. Razumovsky Moscow State University of Technologies and Management (The First Cossack University), Moscow, Russian Federation.
Marina Derkho, Institute of Veterinary Medicine, South Ural State Agrarian University, Troitsk, Russian Federation.
Emdad Ullah, Department of Chemistry, Mississippi State University, Mississippi State, United States
Raden Joko Kuncoroningrat Susilo, Faculty of Advanced Technology and Multidiscipline, Universitas Airlangga, Surabaya, Indonesia
Suhailah Hayaza, Faculty of Advanced Technology and Multidiscipline, Universitas Airlangga, Surabaya, Indonesia
Alexander Patera Nugraha, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia.
Annise Proboningrat, Faculty of Veterinary Medicine, Universitas Airlangga, Surabaya, Indonesia
Amaq Fadholly, School of Veterinary Medicine and Biomedical Sciences, IPB University, Bogor, Indonesia
Mada Triandala Sibero, Natural Product Laboratory, Integrated Laboratory for Research and Services, Universitas Diponegoro, Semarang, Indonesia
Rahadian Zainul, Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, IndonesiaFollow

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. Protein-protein 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.

Recommended Citation

Widyananda, Muhammad Hermawan; Pratama, Setyaki Kevin; Ansori, Arif Nur Muhammad; Antonius, Yulanda; Kharisma, Viol Dhea; Murtadlo, Ahmad Affan Ali; Jakhmola, Vikash; Rebezov, Maksim; Khayrullin, Mars; Derkho, Marina; Ullah, Emdad; Susilo, Raden Joko Kuncoroningrat; Hayaza, Suhailah; Nugraha, Alexander Patera; Proboningrat, Annise; Fadholly, Amaq; Sibero, Mada Triandala; and Zainul, Rahadian (2023) "Quercetin as an anticancer candidate for glioblastoma multiforme by targeting AKT1, MMP9, ABCB1, and VEGFA: An in silico study," Karbala International Journal of Modern Science: Vol. 9 : Iss. 3 , Article 10.
Available at: https://doi.org/10.33640/2405-609X.3312