Viol Dhea Kharisma, Arif Nur Muhammad Ansori, Alexander Patera Nugraha
Cervical cancer caused by a high-risk type of HPV-16 infection, causing death for a woman due to not being treated early. However, some problems such as the high cost of chemotherapy trigger a new perspective on alternative treatments through natural ingredients. The chemical compound of Zingiber officinale has potential as an antiviral agent, but its specific molecular mechanism is unknown. This study will predict the molecular mechanism of chemical compounds from Zingiber officinale as an antiviral candidate for HPV-16 infection, through the in silico approach. Chemical compounds from Zingiber officinale in this study were obtained from the database, then molecular docking simulations, protein-ligand interaction analysis, and 3D molecular visualization were performed. We demonstrated that 6-gingerol in Zingiber officinale was predicted as a drug candidate because it has the lowest binding energy. The antiviral activity of HPV-16 from Zingiber officinale is very possible, through inhibiting the mechanism of E6 protein by 6-gingerol. We recommend these results of computational simulations in this study, can be used as a reference for drug design through in vitro and in vivo analysis. © 2020 Connect Journal.
Microbiology and Immunology Research Group, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia; Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia; Doctoral Program in Veterinary Science, Faculty of Veterinary Medicine, Universitas Airlangga, Surabaya, Indonesia; Department of Orthodontics, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia; Doctoral Program in Medical Science, Faculty of Medicine, Universitas Airlangga, Surabaya, Indonesia
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