Computational Drug Design Study of Curcuma longa L. Compound as HPV-16 Antiviral Candidate Against Cervical Cancer

Abstract

Human papillomavirus (HPV) is one of the causes of cervical cancer in women. These viruses have DNA-type genetic material, are not enveloped, and are divided into two types based on their ability to trigger cancer. High-risk HPV is the type of HPV that often causes cervical cancer cases, this is due to the high expression of oncoprotein E6. E6 works through the inhibition and degradation of p53 to trigger cancer. HPV drugs tend to be expensive and must use alternative solutions such as the herbal Curcuma longa L. Curcuma longa L. is an herbal plant that is widely used by the public for their daily needs, for example as an antiviral, antioxidant, and anti-inflammatory. This study aims to predict the molecular mechanism and screening of drug candidate compounds in Curcuma longa L. to inhibit the activity of the HPV E6 protein through a bioinformatics approach. This study used in silico methods such as docking simulations and molecular interaction analysis to identify potential antiviral candidate compounds. Curcuma longa L. can act as an antiviral through the binding activity of Curcumin compounds in preventing the E6-p53 complex through the specific domains and stable because it have a many number of hydrogen bonds. We recommend the E6-binding domain for further research as a target for HPV drug design and the results of this study are yet to be verified through wet lab testing