Arief Hidayatullah, Wira Eka Putra, Muhaimin Rifa'I, Sustiprijatno, Muhammad Fikri Heikal, Diana Widiastuti, Galuh Wening Permatasari, Hendra Susanto, Adawiyah Suriza Shuib
Cervical cancer is the second most prevalent form of cancer in Indonesia. HPV16 and HPV 18 are the leading causes of cervical cancer, accounting for 70-90% of cases. The E5 protein may play a critical role in the disease's development. Although the high-risk (HR) version of this protein may have some benefits in evading the immune system through MHC I and influencing the cell cycle via p21/p27, very few studies have been performed owing to its tiny size and high hydrophobicity. The purpose of this research is to predict the anti-viral activity of asarinin and thiazolo[3, 2-a]benzimidazole-3(2H)-one, 2-(2-fluorobenzylideno)-7, 8-dimethyl (thiazolo) using molecular docking and molecular dynamics. The docking results showed that the two candidate drugs had a lower docking affinity than rimantadine but comparable stability. Both potent compounds are predicted to disrupt MHC I localization in the ER, the ability of infected cells to proliferate, and the virion assembly process. In contrast, rimantadine is predicted to disrupt infected cells' proliferation ability via the epidermal growth factor receptor (EGFR) regulation and inhibit the activation process of mitogenic signalling in keratinocytes. © 2023 University of Kuwait. All rights reserved.
Dept. of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, East Java, Indonesia; Biotechnology Study Program, Department of Applied Science, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, East Java, Indonesia; Dept. of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, East Java, Indonesia; Indonesian Center for Agricultural Biotechnology and Genetic Resources Research and Development, West Java, Indonesia; Tropical Medicine International Program, Faculty of Medicine, Khon Kaen University, Khon Kaen, Thailand; Dept. of Chemistry, Faculty of Mathematics and Natural Science, Universitas Pakuan, West Java, Indonesia; Indonesian Research Institute for Biotechnology and Bioindustry, West Java, Bogor, Indonesia; Institute of Biological Sciences, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia
