Computational study of ginger (Zingiber Officinale) as E6 inhibitor in human papillomavirus type 16 (Hpv-16) infection

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.