Studi In Silico Potensi Metabolit Sekunder Eleutherine palmifolia (L.) Merr. sebagai Inhibitor Protein E6 dan E7 dari Human Papilloma Virus

Human Papilloma Virus (HPV), especially variants 16 and 18, are the causative agents of cervicals cancer. The E6 and E7 proteins are known to play a role in the cervical cancer regulation. Dayak onion plants have been widely used by local people as traditional medicine, including in treating cancer. Until now, there is no known compound or scientific evidence related to its activity of Dayak onion plants against HPV. The plant contains flavonoids, alkaloids, naphtoquinone and several types of polyphenols. Several flavonoids and naphtoquinones from other plants are known to have the ability to treat cancer, especially cervical cancer. In this study, we performed in silico screening of the secondary metabolites, especially the flavonoid and naphtoquinone groups, of Dayak onions which might be active against E6 and E7 proteins of HPV16 and 18. The result showed that there were six flavonoids’ compounds and four naphtoquinone compounds which were predicted as candidates to treat cervical cancer. The Pa values of all compounds, including the positive control, the resveratrol, were less than 0.5 which meant that all compounds showed no activity as anticancer. Analysis of physicochemical, pharmacokinetics, and toxicity predictions exhibited that all compounds could be absorbed, distributed, metabolized, and excreted in human body and non-toxic. Among the ten compounds, only 1,4-Naphthoquinone had weaker interaction with E6 and E7 proteins than resveratrol. Ephicatecin gallate had the strongest binding affinity with protein E6 HPV16 (-7,7 kkal.mol-1) and E7 HPV18 (-7,1 kkal.mol-1), whilst rutin was the strongest interaction with E6 HPV16 (-7,8 kkal.mol-1) and E7 HPV18 (-6,2 kkal.mol-1). As a conclusion, the ephicatecin gallate and rutin compounds of BDayak onion could be used as potent candidat to inactivate the E6 and E7 proteins of HPV 16 and HPV18. The two compounds were also predicted had similarity as medicine and were suitable in bioavailability to be applied as agents for cervical cancer therapy. Keywords: E6 and E7 oncogene proteins, cervical cancer, flavonoid, naphtoquinone, onion daya